| SpectraBase Spectrum ID |
FP7tJ1NXPaz |
| Name |
2-Benzyl-2-[(E)-1-methylenehept-2-enyl]cyclopropane-1,1-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.198759378 u |
| Formula |
C22H28O4 |
| InChI |
InChI=1S/C22H28O4/c1-5-6-7-9-12-17(2)21(15-18-13-10-8-11-14-18)16-22(21,19(23)25-3)20(24)26-4/h8-14H,2,5-7,15-16H2,1,3-4H3/b12-9+ |
| InChIKey |
NSWCYFZNWGDPIY-FMIVXFBMSA-N |
| Molecular Weight |
356.462 g/mol |
| SMILES |
C1(C(C(\C=C\CCCC)=C)(CC=2C=CC=CC2)C1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888375 |
![2-benzyl-2-[(E)-1-methylenehept-2-enyl]cyclopropane-1,1-dicarboxylic acid dimethyl ester](/api/spectrum/FP7tJ1NXPaz/structure.png?h=300&w=458 "2-benzyl-2-[(E)-1-methylenehept-2-enyl]cyclopropane-1,1-dicarboxylic acid dimethyl ester")
