| SpectraBase Spectrum ID |
LbFLZtp2dbH |
| Name |
2,6,10,14-Hexadecatetraen-1-ol, 2,6,10,14-tetramethyl-16-(phenylthio)-, (all-E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.264337017 u |
| Formula |
C26H38OS |
| InChI |
InChI=1S/C26H38OS/c1-22(11-8-12-23(2)14-10-16-25(4)21-27)13-9-15-24(3)19-20-28-26-17-6-5-7-18-26/h5-7,12-13,16-19,27H,8-11,14-15,20-21H2,1-4H3/b22-13+,23-12+,24-19+,25-16+ |
| InChIKey |
IQQDCXKUTIQUCZ-PUTDXGHDSA-N |
| Molecular Weight |
398.649 g/mol |
| SMILES |
C(\C=C\(CO)C)C\C(=C\CC\C(=C\CC\C(=C\CSC1=CC=CC=C1)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860356 |
