| SpectraBase Spectrum ID |
5O7wV2u2SPL |
| Name |
2-phenylbutyronitrile |
| Appearance |
Colorless liquid |
| Carrier Gas |
Hydrogen (1.2 bar) (30 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
145.089149358 u |
| Formula |
C10H11N |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3 |
| InChIKey |
IZPUPXNVRNBDSW-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 6980 GC-5937N MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202300050 |
| Molecular Weight |
145.205 g/mol |
| Quality |
129 |
| SMILES |
C1(=CC=CC=C1)C(C#N)CC |
| SPLASH |
splash10-014i-2900000000-8dbf91d391d8d93941e1 |
| Sample Comments |
er = 80:20 |
| Source of Spectrum |
K1-26-SM31-2a (DOI: 10.1002/ejoc.202300050) |
| Thin-Layer Chromatography |
0.17 (cHex/EtOAc, 60:1)) |
| Wiley ID |
1910438 |
