| SpectraBase Spectrum ID |
1dgffYDNK5x |
| Name |
(4E)-2,2-dimethyl-3-oxo-5-phenylpent-4-enenitrile |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
199.099714042 u |
| Formula |
C13H13NO |
| InChI |
InChI=1S/C13H13NO/c1-13(2,10-14)12(15)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3/b9-8+ |
| InChIKey |
FFZNVNBHABGWIW-CMDGGOBGSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010 and JEOL JMS-DX303HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201605445 |
| Molecular Weight |
199.253 g/mol |
| Quality |
149 |
| Reported Formula |
C13H13NO |
| SMILES |
C(\C=C\C1=CC=CC=C1)(=O)C(C#N)(C)C |
| SPLASH |
splash10-0fai-4900000000-1a257c2fb5301deef6fe |
| Source of Spectrum |
ACI-55-SM26-2ad (DOI: 10.1002/anie.201605445) |
| Wiley ID |
1899102 |
