| SpectraBase Spectrum ID |
LjkMCMCQ1Rr |
| Name |
methyl 4-(2-cyano-3-phenylpropanoyl)benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15NO3 |
| InChI |
InChI=1S/C18H15NO3/c1-22-18(21)15-9-7-14(8-10-15)17(20)16(12-19)11-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3 |
| InChIKey |
CBEGJZNOLRQQMW-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010 and JEOL JMS-DX303HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201605445 |
| Quality |
127 |
| Reported Formula |
C18H15NO3 |
| SMILES |
COC(C1=CC=C(C=C1)C(C(CC1=CC=CC=C1)C#N)=O)=O |
| SPLASH |
splash10-03di-3900000000-7b8f0d4af5bf3e847ef2 |
| Source of Spectrum |
ACI-55-SM16-2h (DOI: 10.1002/anie.201605445) |
| Wiley ID |
1899109 |
