| SpectraBase Spectrum ID |
8mfSafovGae |
| Name |
5-(Dimethylamino)-3-ethoxy-5-isopropyl-2-[(4'-ethoxycarbonyl)phenyl]-2-phenyl-1,3-cyclopentadiene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.246043924 u |
| Formula |
C27H33NO3 |
| InChI |
InChI=1S/C27H33NO3/c1-7-30-23-18-27(19(3)4,28(5)6)25(21-12-10-9-11-13-21)24(23)20-14-16-22(17-15-20)26(29)31-8-2/h9-19H,7-8H2,1-6H3 |
| InChIKey |
GOHFJKLHMWXTEF-UHFFFAOYSA-N |
| Molecular Weight |
419.565 g/mol |
| SMILES |
C1(C(=C(C2=CC=C(C(=O)OCC)C=C2)C(=C1)OCC)C=1C=CC=CC1)(N(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881602 |
![5-(Dimethylamino)-3-ethoxy-5-isopropyl-2-[(4'-ethoxycarbonyl)phenyl]-2-phenyl-1,3-cyclopentadiene](/api/spectrum/8mfSafovGae/structure.png?h=300&w=458 "5-(Dimethylamino)-3-ethoxy-5-isopropyl-2-[(4'-ethoxycarbonyl)phenyl]-2-phenyl-1,3-cyclopentadiene")
