| SpectraBase Spectrum ID |
9PLiMusPrwW |
| Name |
Meso-hexestrol, o,o'-bis(ethoxycarbonyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.204238680 u |
| Formula |
C24H30O6 |
| InChI |
InChI=1S/C24H30O6/c1-5-21(17-9-13-19(14-10-17)29-23(25)27-7-3)22(6-2)18-11-15-20(16-12-18)30-24(26)28-8-4/h9-16,21-22H,5-8H2,1-4H3/t21-,22+ |
| InChIKey |
VYVHBDDCPGESPD-SZPZYZBQSA-N |
| Molecular Weight |
414.498 g/mol |
| SMILES |
C1=CC(=CC=C1OC(OCC)=O)[C@](CC)([C@@](C1=CC=C(C=C1)OC(OCC)=O)(CC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9521 |
