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 |