| SpectraBase Spectrum ID |
5pW5P0m6iGq |
| Name |
Cyclopropanecarboxylic acid, 1-cyano-3-(4-methoxyphenyl)-2-methyl-2-phenyl-, methyl ester, (1.alpha.,2.beta.,3.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.136493473 u |
| Formula |
C20H19NO3 |
| InChI |
InChI=1S/C20H19NO3/c1-19(15-7-5-4-6-8-15)17(20(19,13-21)18(22)24-3)14-9-11-16(23-2)12-10-14/h4-12,17H,1-3H3/t17-,19+,20-/m1/s1 |
| InChIKey |
IXQLTRXCXPSLQO-YZGWKJHDSA-N |
| Molecular Weight |
321.376 g/mol |
| SMILES |
[C@@]1([C@](C=2C=CC=CC2)(C)[C@]1(C=1C=CC(=CC1)OC)[H])(C(=O)OC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856455 |
