| SpectraBase Spectrum ID |
J6JlfGKEnCW |
| Name |
8A-Methyl-4-phenyl-8-(.alpha.-hydroxy-4-chlorobenzyl)-4,4A,5,6,7,8-hexahydro-8ah-benzo[B]pyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.154307743 u |
| Formula |
C23H25ClO2 |
| InChI |
InChI=1S/C23H25ClO2/c1-23-20(19(14-15-26-23)16-6-3-2-4-7-16)8-5-9-21(23)22(25)17-10-12-18(24)13-11-17/h2-4,6-7,10-15,19-22,25H,5,8-9H2,1H3/t19-,20-,21-,22-,23+/m0/s1 |
| InChIKey |
KGDFDDKCOYRDGG-XZCBWCRCSA-N |
| Molecular Weight |
368.904 g/mol |
| SMILES |
[C@@]12([C@]([C@](C3=CC=C(C=C3)Cl)(O)[H])(CCC[C@]1([C@](C1=CC=CC=C1)(C=CO2)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922713 |
![8a-Methyl-4-phenyl-8-(.alpha.-hydroxy-4-chlorobenzyl)-4,4a,5,6,7,8-hexahydro-8aH-benzo[b]pyran](/api/spectrum/J6JlfGKEnCW/structure.png?h=300&w=458 "8a-Methyl-4-phenyl-8-(.alpha.-hydroxy-4-chlorobenzyl)-4,4a,5,6,7,8-hexahydro-8aH-benzo[b]pyran")
