| SpectraBase Spectrum ID |
CqBJZJXXhR1 |
| Name |
(1rs,2rs,3sr,6sr)-3,6-Dibutylcyclohex-4-en-1,2-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.193280075 u |
| Formula |
C14H26O2 |
| InChI |
InChI=1S/C14H26O2/c1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15/h7-12,15-16H,1-6H3/t9-,10-,11+,12+/m0/s1 |
| InChIKey |
BSHFHXGXNZSGCS-NNYUYHANSA-N |
| Molecular Weight |
226.360 g/mol |
| SMILES |
[C@]1([C@@]([C@@](C(C)(C)C)(C=C[C@@]1(C(C)(C)C)[H])[H])(O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963218 |
