| SpectraBase Spectrum ID |
HCIrmXASz5f |
| Name |
9(1H)-Phenanthrenone, 2,3,4,4A,10,10A-hexahydro-1-(hydroxymethyl)-6-methoxy-1,4A-dimethyl-, [1S-(1.alpha.,4A.alpha.,10A.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.172544630 u |
| Formula |
C18H24O3 |
| InChI |
InChI=1S/C18H24O3/c1-17(11-19)7-4-8-18(2)14-9-12(21-3)5-6-13(14)15(20)10-16(17)18/h5-6,9,16,19H,4,7-8,10-11H2,1-3H3/t16-,17+,18-/m1/s1 |
| InChIKey |
GAJPKSFMQKECNJ-FGTMMUONSA-N |
| SMILES |
[C@]12(C3=C(C=CC(=C3)OC)C(C[C@@]1([C@@](CO)(C)CCC2)[H])=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804174 |
![9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-1-(hydroxymethyl)-6-methoxy-1,4a-dimethyl-, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-](/api/spectrum/HCIrmXASz5f/structure.png?h=300&w=458 "9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-1-(hydroxymethyl)-6-methoxy-1,4a-dimethyl-, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-")
