Benzoximate

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Systematic / IUPAC Name: [C-(3-Chloro-2,6-dimethoxyphenyl)-N-ethoxycarbonimidoyl] benzoate

ID: Reference13300

Other Names: Benzomate;
AA-102

Formula: C18H18ClNO5

Spectral Data

Benzoximate 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
No. of Spectral Trees 2
No. of Spectra 3951
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2024 1:31:48 PM
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Identificators

InChI InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3
InChI Key BZMIHNKNQJJVRO-UHFFFAOYSA-N
Canonical SMILES CCON=C(C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2
CAS
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Other Names Benzomate;
AA-102

In Other Databases

PubChem 571084