| SpectraBase Spectrum ID |
DhrkFYa9HpY |
| Name |
6,10,14-Hexadecatriene-2,3-diol, 2,6,10,14-tetramethyl-16-(phenylthio)-, [S-(E,E,E)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.274901700 u |
| Formula |
C26H40O2S |
| InChI |
InChI=1S/C26H40O2S/c1-21(11-9-13-22(2)17-18-25(27)26(4,5)28)12-10-14-23(3)19-20-29-24-15-7-6-8-16-24/h6-8,12-13,15-16,19,25,27-28H,9-11,14,17-18,20H2,1-5H3/b21-12+,22-13+,23-19+/t25-/m0/s1 |
| InChIKey |
RPOSVPYHHAGREF-HBMXZVBDSA-N |
| Molecular Weight |
416.664 g/mol |
| SMILES |
C([C@](CC\C(=C\CC\C(=C\CC\C(=C\CSC1=CC=CC=C1)C)C)C)(O)[H])(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896636 |
![6,10,14-Hexadecatriene-2,3-diol, 2,6,10,14-tetramethyl-16-(phenylthio)-, [S-(E,E,E)]-](/api/spectrum/DhrkFYa9HpY/structure.png?h=300&w=458 "6,10,14-Hexadecatriene-2,3-diol, 2,6,10,14-tetramethyl-16-(phenylthio)-, [S-(E,E,E)]-")
