| SpectraBase Spectrum ID |
LKL52ogZZPT |
| Name |
4-Octen-2-ol, 7-methyl-3-(phenylthio)-, [R*,S*-(E)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.139136501 u |
| Formula |
C15H22OS |
| InChI |
InChI=1S/C15H22OS/c1-12(2)8-7-11-15(13(3)16)17-14-9-5-4-6-10-14/h4-7,9-13,15-16H,8H2,1-3H3/b11-7+/t13-,15+/m0/s1 |
| InChIKey |
INXLFPMMIJJEBB-SQIFRAFTSA-N |
| Molecular Weight |
250.400 g/mol |
| SMILES |
[C@](SC=1C=CC=CC1)(\C=C\CC(C)C)([C@@](O)(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896867 |
![4-Octen-2-ol, 7-methyl-3-(phenylthio)-, [R*,S*-(E)]-](/api/spectrum/LKL52ogZZPT/structure.png?h=300&w=458 "4-Octen-2-ol, 7-methyl-3-(phenylthio)-, [R*,S*-(E)]-")
