| SpectraBase Spectrum ID |
5Xld2wG31id |
| Name |
Pentanedioic acid, 3-cyano-2,4-bis(2-methyl-1-propenyl)-3-phenyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.194008349 u |
| Formula |
C22H27NO4 |
| InChI |
InChI=1S/C22H27NO4/c1-15(2)12-18(20(24)26-5)22(14-23,17-10-8-7-9-11-17)19(13-16(3)4)21(25)27-6/h7-13,18-19H,1-6H3 |
| InChIKey |
FFVMTJNVIMIVEJ-UHFFFAOYSA-N |
| Molecular Weight |
369.461 g/mol |
| SMILES |
C(C(C=C(C)C)C(=O)OC)(C(C=C(C)C)C(=O)OC)(C#N)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87324 |
