| SpectraBase Spectrum ID |
8FS2M2JyquG |
| Name |
1H-Indole-3-butanoic acid,methyl ester |
| CAS Registry Number |
15591-70-5 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
217.110278725 u |
| Formula |
C13H15NO2 |
| InChI |
InChI=1S/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3 |
| InChIKey |
ZEJUFCOACOWDPP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
217.268 g/mol |
| Nominal Mass |
217 u |
| Quality |
871 |
| Retention Index |
1672 |
| SMILES |
C=12C(NC=C2CCCC(OC)=O)=CC=CC1 |
| SPLASH |
splash10-001i-1910000000-8a231f0508dfee9d9001 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl 4-(1H-indol-3-yl)butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031723 |
