| SpectraBase Spectrum ID |
JFwk4kFDBT6 |
| Name |
1H-Indole-3-propanoic acid methyl ester |
| CAS Registry Number |
5548-09-4 |
| Classification |
Auxin plant hormone |
| 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 |
203.094628661 u |
| Formula |
C12H13NO2 |
| InChI |
InChI=1S/C12H13NO2/c1-15-12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,13H,6-7H2,1H3 |
| InChIKey |
BAYIDMGOQRXHBC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
203.241 g/mol |
| Nominal Mass |
203 u |
| Quality |
870 |
| Retention Index |
1618 |
| SMILES |
C=12C(NC=C2CCC(OC)=O)=CC=CC1 |
| SPLASH |
splash10-001i-1910000000-5511fe15ba988eed2148 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3-(1H-indol-3-yl)propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004286 |
