| SpectraBase Spectrum ID |
HOAWUsbr6pV |
| Name |
Cyclopropanecarboxylic acid, 3-(4-chlorophenyl)-1-cyano-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 |
325.086956457 u |
| Formula |
C19H16ClNO2 |
| InChI |
InChI=1S/C19H16ClNO2/c1-18(14-6-4-3-5-7-14)16(13-8-10-15(20)11-9-13)19(18,12-21)17(22)23-2/h3-11,16H,1-2H3/t16-,18+,19-/m1/s1 |
| InChIKey |
JSEIYNACEVUZRU-NZSAHSFTSA-N |
| Molecular Weight |
325.795 g/mol |
| SMILES |
[C@@]1([C@](C=2C=CC=CC2)(C)[C@]1(C=1C=CC(=CC1)Cl)[H])(C(=O)OC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851687 |
