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carbanilic acid, methyl ester
SpectraBase Compound ID EADFP1nBHsL
InChI InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey IAGUPODHENSJEZ-UHFFFAOYSA-N
Mol Weight 151.16 g/mol
Molecular Formula C8H9NO2
Exact Mass 151.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiDi7HEPx5O
Name Desmedipham-M/A ME
CAS Registry Number 2603-10-3
Classification Drug metabolite, artifact
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 151.063328532 u
Formula C8H9NO2
InChI InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey IAGUPODHENSJEZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 151.165 g/mol
Nominal Mass 151 u
Quality 980
Retention Index 1200
SMILES C=1(NC(OC)=O)C=CC=CC1
SPLASH splash10-1000-8900000000-692105446fec25d5807d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Phenyl-carbamic acid methyl ester
Technique GC/MS
Wiley ID DD2024_008462