| SpectraBase Spectrum ID |
OskuKKDQMD |
| 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 |
| 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 |
| Number of Peaks |
48 |
| RI1 |
1138 |
| RI2 |
815 |
| SMILES |
C(#N)Cc1ccccc1 |
| SPLASH |
splash10-014l-9700000000-b3497011ad9faf12e715 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Acetonitrile, phenyl- (6CI,7CI,8CI) |
| Wiley ID |
LM_FFNSC3_2031 |
