| SpectraBase Spectrum ID |
HI7hU8g6JJj |
| Name |
Benzenepropanoic acid, 4-cyano-.alpha.-[1-(methoxycarbonyl)-2,3-diphenyl-2-cyclopropen-1-yl]-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.162708221 u |
| Formula |
C28H23NO4 |
| InChI |
InChI=1S/C28H23NO4/c1-32-26(30)23(17-19-13-15-20(18-29)16-14-19)28(27(31)33-2)24(21-9-5-3-6-10-21)25(28)22-11-7-4-8-12-22/h3-16,23H,17H2,1-2H3 |
| InChIKey |
RTPNLNOLKWJWMN-UHFFFAOYSA-N |
| Molecular Weight |
437.495 g/mol |
| SMILES |
C(CC1=CC=C(C#N)C=C1)(C1(C(=C1C1=CC=CC=C1)C1=CC=CC=C1)C(OC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861133 |
![Benzenepropanoic acid, 4-cyano-.alpha.-[1-(methoxycarbonyl)-2,3-diphenyl-2-cyclopropen-1-yl]-, methyl ester](/api/spectrum/HI7hU8g6JJj/structure.png?h=300&w=458 "Benzenepropanoic acid, 4-cyano-.alpha.-[1-(methoxycarbonyl)-2,3-diphenyl-2-cyclopropen-1-yl]-, methyl ester")
