SpectraBase Spectrum ID |
JHKBn7jdeam |
Name |
Methyl indole-3-carboxylate |
CAS Registry Number |
942-24-5 |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
175.063328532 u |
Formula |
C10H9NO2 |
InChI |
InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3 |
InChIKey |
QXAUTQFAWKKNLM-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
175.187 g/mol |
Nominal Mass |
175 u |
Quality |
992 |
Retention Index |
1410 |
SMILES |
C=12C(=CNC2=CC=CC1)C(OC)=O |
SPLASH |
splash10-0006-8900000000-4a7313e5e96789a7b7dd |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Methyl 1H-indole-3-carboxylate |
Technique |
GC/MS |
Wiley ID |
DD2024_015862 |