2-[(5-Methyl-3-isoxazolyl)methyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione

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Systematic / IUPAC Name: 2-[(5-Methyl-1,2-oxazol-3-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide

ID: Reference8648

Other Names: 1,2-Benzisothiazol-3(2H)-one, 2-[(5-methyl-3-isoxazolyl)methyl]-, 1,1-dioxide;
2-[(5-Methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one;
2-[(5-Methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1

Formula: C12H10N2O4S

Spectral Data

2-[(5-Methyl-3-isoxazolyl)methyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 11:33:50 AM
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Identificators

InChI InChI=1S/C12H10N2O4S/c1-8-6-9(13-18-8)7-14-12(15)10-4-2-3-5-11(10)19(14,16)17/h2-6H,7H2,1H3
InChI Key ISCBVTHLPPSFNH-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=NO1)CN2C(=O)C3=CC=CC=C3S2(=O)=O
CAS
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Other Names 1,2-Benzisothiazol-3(2H)-one, 2-[(5-methyl-3-isoxazolyl)methyl]-, 1,1-dioxide;
2-[(5-Methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one;
2-[(5-Methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1

In Other Databases

ChemSpider 2093540
PubChem 2815174