| SpectraBase Spectrum ID |
FIVcpbpTsOD |
| Name |
Benzeneacetonitrile |
| CAS Registry Number |
140-29-4 |
| 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 |
117.057849229 u |
| Formula |
C8H7N |
| 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/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey |
SUSQOBVLVYHIEX-UHFFFAOYSA-N |
| Molecular Weight |
117.151 g/mol |
| Nominal Mass |
117 u |
| Number of Peaks |
50 |
| SMILES |
c1cccc(c1)CC#N |
| SPLASH |
splash10-014i-9700000000-bf1d73f8cd3fbaf608c6 |
| Source |
ex MACA OIL, ex MARIO TELLEZ |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000141 |
