| SpectraBase Spectrum ID |
3EKMRA2zUV1 |
| Name |
alpha-Cyano-alpha-isopropyl-o-methylhydrocinnamic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.157228918 u |
| Formula |
C16H21NO2 |
| InChI |
InChI=1S/C16H21NO2/c1-5-19-15(18)16(11-17,12(2)3)10-14-9-7-6-8-13(14)4/h6-9,12H,5,10H2,1-4H3 |
| InChIKey |
LZSRDINHDSZTSD-UHFFFAOYSA-N |
| Molecular Weight |
259.349 g/mol |
| SMILES |
CCOC(C(CC=1C=CC=CC1C)(C#N)C(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.88576 |
