| SpectraBase Spectrum ID |
F4y1ykhos8T |
| Name |
3-(3-Butenyl)-2,2-dimethyl-5-(2-allyl)-1-(prop-2-enyl)cyclohexanol isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.229665585 u |
| Formula |
C18H30O |
| InChI |
InChI=1S/C18H30O/c1-7-9-10-16-12-15(14(3)4)13-18(19,11-8-2)17(16,5)6/h7-8,15-16,19H,1-3,9-13H2,4-6H3/t15-,16+,18+/m0/s1 |
| InChIKey |
ZZDDIAMDGJYSBV-LZLYRXPVSA-N |
| Molecular Weight |
262.437 g/mol |
| SMILES |
[C@]1(C([C@](CCC=C)(C[C@@](C1)(C(=C)C)[H])[H])(C)C)(O)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962066 |
