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 |