| SpectraBase Spectrum ID |
OJnVUVc8eL |
| Name |
Cyclopropanecarboxylic acid, 1-cyano-2-methyl-2-phenyl-, methyl ester, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.094628661 u |
| Formula |
C13H13NO2 |
| InChI |
InChI=1S/C13H13NO2/c1-12(10-6-4-3-5-7-10)8-13(12,9-14)11(15)16-2/h3-7H,8H2,1-2H3/t12-,13+/m0/s1 |
| InChIKey |
UMOCONVEDMJLCB-QWHCGFSZSA-N |
| Molecular Weight |
215.252 g/mol |
| SMILES |
[C@]1([C@@](C2=CC=CC=C2)(C)C1)(C(=O)OC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899144 |
