| SpectraBase Spectrum ID |
KKSxzCkEsVC |
| Name |
(S)-3-Butyl-2-methyl-1-phenylheptan-3-ol |
| 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/c1-4-6-13-18(19,14-7-5-2)16(3)15-17-11-9-8-10-12-17/h8-12,16,19H,4-7,13-15H2,1-3H3/t16-/m0/s1 |
| InChIKey |
GSDCWUYKXBAFHB-INIZCTEOSA-N |
| Molecular Weight |
262.437 g/mol |
| SMILES |
C([C@](CC=1C=CC=CC1)(C)[H])(O)(CCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820903 |
