| SpectraBase Spectrum ID |
2DQy7DBHv1y |
| Name |
(3S*4R*,4as*,5S*,8as*)-5-Hydroxy-4-(hydroxymethyl)-3-methyldecahydro-1-oxanaphthalene-1-one ethylene ketal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.167459249 u |
| Formula |
C14H24O4 |
| InChI |
InChI=1S/C14H24O4/c1-9-7-14(17-5-6-18-14)11-3-2-4-12(16)13(11)10(9)8-15/h9-13,15-16H,2-8H2,1H3/t9-,10+,11-,12-,13+/m0/s1 |
| InChIKey |
INNRRBOARCJQEB-FPYNETTCSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
C12([C@@]3([C@@]([C@@](O)(CCC3)[H])([H])[C@@]([C@](C1)(C)[H])(CO)[H])[H])OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871298 |
