| SpectraBase Spectrum ID |
LwQmtbsFT2S |
| Name |
9-Phenanthrenol, 2,3,4,4A,9,10-hexahydro-6-methoxy-1,4A-dimethyl-, (4as-cis)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.161979946 u |
| Formula |
C17H22O2 |
| InChI |
InChI=1S/C17H22O2/c1-11-5-4-8-17(2)14(11)10-16(18)13-7-6-12(19-3)9-15(13)17/h6-7,9,16,18H,4-5,8,10H2,1-3H3/t16-,17-/m0/s1 |
| InChIKey |
FWHARKRFRJLIDB-IRXDYDNUSA-N |
| Molecular Weight |
258.361 g/mol |
| SMILES |
[C@]12(C(C[C@@](C3=C2C=C(C=C3)OC)(O)[H])=C(C)CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886314 |
