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(1H-Indol-3-yl)oxo-acetic acid methyl ester
SpectraBase Compound ID 9wQxKV7Yxh9
InChI InChI=1S/C11H9NO3/c1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9/h2-6,12H,1H3
InChIKey VFIJGAWYVXDYLK-UHFFFAOYSA-N
Mol Weight 203.2 g/mol
Molecular Formula C11H9NO3
Exact Mass 203.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmANzgCQZ04
Name Methyl indol-3-yl-glyoxalate
CAS Registry Number 18372-22-0
Classification Designer drug precursor
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 203.058243151 u
Formula C11H9NO3
InChI InChI=1S/C11H9NO3/c1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9/h2-6,12H,1H3
InChIKey VFIJGAWYVXDYLK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 203.197 g/mol
Nominal Mass 203 u
Quality 990
Retention Index 2301
SMILES C=12C(C(C(OC)=O)=O)=CNC2=CC=CC1
SPLASH splash10-0006-4900000000-e5c8530209a529ad9319
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (1H-Indol-3-yl)oxo-acetic acid methyl ester Indole-3-pyoxylicacid,methyl ester Methyl 1H-indol-3-yl-oxoacetate
Technique GC/MS
Wiley ID DD2024_015820