| SpectraBase Spectrum ID |
5jvJVC5Rled |
| Name |
2-benzyl-3-(2-cyclohexen-1-yl)-3-oxopropanenitrile |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.131014170 u |
| Formula |
C16H17NO |
| InChI |
InChI=1S/C16H17NO/c17-12-15(11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1,3-5,7-9,14-15H,2,6,10-11H2 |
| InChIKey |
VNLKMJHIVKUXHS-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010 and JEOL JMS-DX303HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201605445 |
| Molecular Weight |
239.318 g/mol |
| Quality |
114 |
| Reported Formula |
C16H17NO |
| SMILES |
C1(=CC=CC=C1)CC(C#N)C(=O)C1C=CCCC1 |
| SPLASH |
splash10-0a59-9810000000-7acd21b031922412b678 |
| Source of Spectrum |
ACI-55-SM20-2q (DOI: 10.1002/anie.201605445) |
| Wiley ID |
1899117 |
