3-Ketocarbofuran

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Systematic / IUPAC Name: 2,2-Dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl methylcarbamate

ID: Reference1958

Other Names: 3-Oxocarbofuran;
Carbofuran-3-keto;
Carbamic acid, methyl-, ester with 2,2-dimethyl-7-hydroxy-3(2H)-benzofuranone;
3(2H)-Benzofuranone, 2,2-dimethyl-7-{[(methylamino)carbonyl]oxy}-;
2,2-Dimethyl-3-oxo-2,3-dihydrobenzofuran-7-yl methylcarbamate

Formula: C12H13NO4

Class: Pesticides/Herbicides

Spectral Data

3-Ketocarbofuran mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 2860
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/14/2015 11:22:58 AM
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Identificators

InChI InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)
InChI Key WXNZYYXXILQTKX-UHFFFAOYSA-N
Canonical SMILES CC1(C(=O)C2=C(O1)C(=CC=C2)OC(=O)NC)C
CAS 16709301
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Other Names 3-Oxocarbofuran;
Carbofuran-3-keto;
Carbamic acid, methyl-, ester with 2,2-dimethyl-7-hydroxy-3(2H)-benzofuranone;
3(2H)-Benzofuranone, 2,2-dimethyl-7-{[(methylamino)carbonyl]oxy}-;
2,2-Dimethyl-3-oxo-2,3-dihydrobenzofuran-7-yl methylcarbamate

In Other Databases

ChemSpider 26043
PubChem 27999
ChemIDPlus 016709301
HMDb HMDB32776