| SpectraBase Spectrum ID |
KRP6WPESYyV |
| Name |
(3S,4S)-3-Isopropoxy-4-methyl-5-oxo-2-phenyl-3-vinylcyclopent-1-enyl 4-chlorobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.128486917 u |
| Formula |
C24H23ClO4 |
| InChI |
InChI=1S/C24H23ClO4/c1-5-24(29-15(2)3)16(4)21(26)22(20(24)17-9-7-6-8-10-17)28-23(27)18-11-13-19(25)14-12-18/h5-16H,1H2,2-4H3/t16-,24+/m1/s1 |
| InChIKey |
IQUAJMDVXSAUGF-GYCJOSAFSA-N |
| Molecular Weight |
410.897 g/mol |
| SMILES |
[C@]1(C(C(=C(C=2C=CC=CC2)[C@]1(OC(C)C)C=C)OC(=O)C1=CC=C(C=C1)Cl)=O)([H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937668 |
