| SpectraBase Spectrum ID |
3xHC8IHQ2UY |
| Name |
Benzoic acid nitrile |
| CAS Registry Number |
100-47-0 |
| 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 |
103.042199165 u |
| Formula |
C7H5N |
| InChI |
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H |
| InChIKey |
JFDZBHWFFUWGJE-UHFFFAOYSA-N |
| Molecular Weight |
103.124 g/mol |
| Number of Peaks |
42 |
| RI1 |
983 |
| RI2 |
655 |
| SMILES |
c1cccc(c1)C#N |
| SPLASH |
splash10-0udi-8900000000-73fa6f1eb475cf6f0239 |
| 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 |
Benzonitrile |
| Wiley ID |
LM_FFNSC3_1432 |
