| SpectraBase Spectrum ID |
B0qfIMiDUmt |
| Name |
1H-Benz[E]inden-1-one, 3A,4,5,9B-tetrahydro-9B-hydroxy-7-methoxy-3A-methyl-, (3ar-cis)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.109944372 u |
| Formula |
C15H16O3 |
| InChI |
InChI=1S/C15H16O3/c1-14-7-5-10-9-11(18-2)3-4-12(10)15(14,17)13(16)6-8-14/h3-4,6,8-9,17H,5,7H2,1-2H3/t14-,15-/m1/s1 |
| InChIKey |
SEBPFGUTHTUXSR-HUUCEWRRSA-N |
| Molecular Weight |
244.290 g/mol |
| SMILES |
[C@]12(C=3C(=CC(=CC3)OC)CC[C@@]1(C=CC2=O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866965 |
![1H-Benz[e]inden-1-one, 3a,4,5,9b-tetrahydro-9b-hydroxy-7-methoxy-3a-methyl-, (3aR-cis)-](/api/spectrum/B0qfIMiDUmt/structure.png?h=300&w=458 "1H-Benz[e]inden-1-one, 3a,4,5,9b-tetrahydro-9b-hydroxy-7-methoxy-3a-methyl-, (3aR-cis)-")
