| SpectraBase Spectrum ID |
8Hpbu7n9ivQ |
| Name |
3-Indolylacetone |
| CAS Registry Number |
1201-26-9 |
| Classification |
Drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
173.084063977 u |
| Formula |
C11H11NO |
| InChI |
InChI=1S/C11H11NO/c1-8(13)6-9-7-12-11-5-3-2-4-10(9)11/h2-5,7,12H,6H2,1H3 |
| InChIKey |
LDVHYJKRIKBISQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
173.215 g/mol |
| Nominal Mass |
173 u |
| Quality |
978 |
| Retention Index |
1409 |
| SMILES |
C=12C(NC=C2CC(=O)C)=CC=CC1 |
| SPLASH |
splash10-001i-2900000000-b1864e80633d005b7ccb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(1H-indol-3-yl)propan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005687 |
