| SpectraBase Spectrum ID |
KMCm5fMA8GX |
| Name |
alpha-Cyano-p-nitrocinnamic acid, tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.095356935 u |
| Formula |
C14H14N2O4 |
| InChI |
InChI=1S/C14H14N2O4/c1-14(2,3)20-13(17)11(9-15)8-10-4-6-12(7-5-10)16(18)19/h4-8H,1-3H3 |
| InChIKey |
QBFGYJOTPAHYLE-UHFFFAOYSA-N |
| Molecular Weight |
274.276 g/mol |
| SMILES |
N(=O)(=O)C=1C=CC(=CC1)C=C(C(OC(C)(C)C)=O)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.700094 |
