| SpectraBase Spectrum ID |
ArEk7H058U6 |
| Name |
Meso-hexestrol, o,o'-bis(methoxycarbonyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.172938551 u |
| Formula |
C22H26O6 |
| InChI |
InChI=1S/C22H26O6/c1-5-19(15-7-11-17(12-8-15)27-21(23)25-3)20(6-2)16-9-13-18(14-10-16)28-22(24)26-4/h7-14,19-20H,5-6H2,1-4H3/t19-,20+ |
| InChIKey |
GTVVFRMFHZNSCQ-BGYRXZFFSA-N |
| Molecular Weight |
386.444 g/mol |
| SMILES |
[C@@]([C@](CC)(C1=CC=C(C=C1)OC(OC)=O)[H])(CC)(C1=CC=C(C=C1)OC(OC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953336 |
