| SpectraBase Spectrum ID |
LcuGUdGnBmI |
| Name |
Skatole |
| CAS Registry Number |
83-34-1 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
131.073499294 u |
| Formula |
C9H9N |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3 |
| InChIKey |
ZFRKQXVRDFCRJG-UHFFFAOYSA-N |
| Molecular Weight |
131.178 g/mol |
| Nominal Mass |
131 u |
| Number of Peaks |
86 |
| SMILES |
[nH]1c2c(c(c1)C)cccc2 |
| SPLASH |
splash10-001i-2900000000-efeeb6f03791e012f50d |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001280 |
