SpectraBase Spectrum ID |
7B89zY5MKpi |
Name |
2-Cyclopropyl1-methylsulfanyl-6-phenylhexan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
264.154786566 u |
Formula |
C16H24OS |
InChI |
InChI=1S/C16H24OS/c1-18-13-16(17,15-10-11-15)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3 |
InChIKey |
OMOKWHXVRWHQKJ-UHFFFAOYSA-N |
Molecular Weight |
264.427 g/mol |
SMILES |
C(C(CCCCC=1C=CC=CC1)(O)C1CC1)SC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862205 |