| SpectraBase Spectrum ID |
9bIJTQay5W6 |
| Name |
Hexanenitrile <2-phenyl-> |
| CAS Registry Number |
3508-98-3 |
| 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 |
173.120449487 u |
| Formula |
C12H15N |
| InChI |
InChI=1S/C12H15N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7H2,1H3 |
| InChIKey |
OTERUZJEJFMEEB-UHFFFAOYSA-N |
| Molecular Weight |
173.259 g/mol |
| Number of Peaks |
50 |
| RI1 |
1436 |
| RI2 |
1115 |
| SMILES |
C(C(CCCC)c1ccccc1)#N |
| SPLASH |
splash10-014i-4900000000-5da7ab7792ef52fe2020 |
| 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 |
Benzeneacetonitrile, alpha-butyl- |
| Wiley ID |
LM_FFNSC3_1347 |
