| SpectraBase Spectrum ID |
JImBW6ctpia |
| Name |
Skatole |
| CAS Registry Number |
83-34-1 |
| Classification |
Fragrance |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
131.073499294 u |
| Formula |
C9H9N |
| InChI |
InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3 |
| InChIKey |
ZFRKQXVRDFCRJG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
131.178 g/mol |
| Nominal Mass |
131 u |
| Quality |
976 |
| Retention Index |
1395 |
| SMILES |
C=12C(C(=CN2)C)=CC=CC1 |
| SPLASH |
splash10-001i-4900000000-5f265cfffc0c84aa0024 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1H-Indole,3-methyl-
3-Methylindole
3-Methyl-1H-indole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017687 |
