| SpectraBase Spectrum ID |
ILZl5VlfAjb |
| Name |
Meso-1,6-bis(.alpha.-hydroxy-4-methoxy-.alpha-methylbenzyl)cyclohepta-1,3,5-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.198759378 u |
| Formula |
C25H28O4 |
| InChI |
InChI=1S/C25H28O4/c1-24(26,18-9-13-22(28-3)14-10-18)20-7-5-6-8-21(17-20)25(2,27)19-11-15-23(29-4)16-12-19/h5-16,26-27H,17H2,1-4H3/t24-,25+ |
| InChIKey |
YHPNZOQHICUEEE-PLQXJYEYSA-N |
| Molecular Weight |
392.495 g/mol |
| SMILES |
C=1([C@@](C=2C=CC(=CC2)OC)(O)C)CC([C@](C=2C=CC(=CC2)OC)(O)C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96119 |
