| SpectraBase Spectrum ID |
68zTo5gDaAN |
| Name |
(3R,4as,5S,7as)-3-Isobutyl-6-methylol-1,3,4,4A,5,7A-hexahydrocyclopenta[C]pyran-5-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.156894565 u |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-8(2)3-11-5-12-10(7-16-11)4-9(6-14)13(12)15/h4,8,10-15H,3,5-7H2,1-2H3/t10-,11-,12+,13-/m1/s1 |
| InChIKey |
CRQQLDKACYRJEG-FVCCEPFGSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C1(=C[C@@]2(CO[C@@](C[C@@]2([C@@]1(O)[H])[H])(CC(C)C)[H])[H])CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94472 |
![(3R,4aS,5S,7aS)-3-isobutyl-6-methylol-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-5-ol](/api/spectrum/68zTo5gDaAN/structure.png?h=300&w=458 "(3R,4aS,5S,7aS)-3-isobutyl-6-methylol-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-5-ol")
