| SpectraBase Spectrum ID |
605sxYp37Pp |
| Name |
2-phenylvaleronitrile |
| Appearance |
Pale-yellow liquid |
| Carrier Gas |
Hydrogen (1.2 bar) (30 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
159.104799423 u |
| Formula |
C11H13N |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C11H13N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6H2,1H3 |
| InChIKey |
VIUPTAFHLRBHBO-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 6980 GC-5937N MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202300050 |
| Molecular Weight |
159.232 g/mol |
| Quality |
87 |
| SMILES |
C1(=CC=CC=C1)C(C#N)CCC |
| SPLASH |
splash10-014i-1900000000-18c1390f621c89ac736d |
| Sample Comments |
er = 80:20 |
| Source of Spectrum |
K1-26-SM32-2b (DOI: 10.1002/ejoc.202300050) |
| Thin-Layer Chromatography |
0.19 (cHex/EtOAc, 60:1) |
| Wiley ID |
1910439 |
