| SpectraBase Spectrum ID |
JzmBeiWatoz |
| Name |
1,1-Cyclopentanedicarboxylic acid, 3-phenyl-2,4-bis-(2-phenylethenyl)-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.214409442 u |
| Formula |
C31H30O4 |
| InChI |
InChI=1S/C31H30O4/c1-34-29(32)31(30(33)35-2)22-26(20-18-23-12-6-3-7-13-23)28(25-16-10-5-11-17-25)27(31)21-19-24-14-8-4-9-15-24/h3-21,26-28H,22H2,1-2H3/b20-18+,21-19+ |
| InChIKey |
CITCMOUZGNQZRZ-FRCMOREXSA-N |
| Molecular Weight |
466.577 g/mol |
| SMILES |
C1(CC(\C=C\C2=CC=CC=C2)C(C1\C=C\C1=CC=CC=C1)C1=CC=CC=C1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929421 |
