| SpectraBase Spectrum ID |
64tB8NZZqPJ |
| Name |
(1S,2S,5S)-2-Methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.193280075 u |
| Formula |
C15H26O2 |
| InChI |
InChI=1S/C15H26O2/c1-13(2)7-5-8-14(13,3)11-6-9-15(4,17)12(16)10-11/h6,9,11-12,16-17H,5,7-8,10H2,1-4H3/t11-,12+,14+,15+/m1/s1 |
| InChIKey |
ARHSYZHJIIRPIL-DHMWGJHJSA-N |
| Molecular Weight |
238.371 g/mol |
| SMILES |
[C@@]1([C@@]2(C=C[C@@]([C@](C2)(O)[H])(O)C)[H])(C(CCC1)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927728 |
![(1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol](/api/spectrum/64tB8NZZqPJ/structure.png?h=300&w=458 "(1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol")
