| SpectraBase Spectrum ID |
JHdvzxGj4KW |
| Name |
3-Indolylmethylketone |
| CAS Registry Number |
703-80-0 |
| Classification |
Pharmaceutical 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 |
159.068413913 u |
| Formula |
C10H9NO |
| InChI |
InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3 |
| InChIKey |
VUIMBZIZZFSQEE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
159.188 g/mol |
| Nominal Mass |
159 u |
| Quality |
977 |
| Retention Index |
1840 |
| SMILES |
C=12C(NC=C2C(=O)C)=CC=CC1 |
| SPLASH |
splash10-052f-1900000000-ff21166a0b73c7238f82 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethanone,1-(1H-indol-3-yl)
1-(1H-Indol-3-yl)ethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013752 |
