| SpectraBase Spectrum ID |
EkFgfqVYtYm |
| Name |
1,5,9-Cyclododecatriene, 3-[(phenylthio)methyl]-, (E,E,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.159871947 u |
| Formula |
C19H24S |
| InChI |
InChI=1S/C19H24S/c1-2-4-6-9-13-18(14-10-7-5-3-1)17-20-19-15-11-8-12-16-19/h1-2,7-13,15-16,18H,3-6,14,17H2/b2-1+,10-7+,13-9+ |
| InChIKey |
BICPIQRJQMDASM-WBKHEZLMSA-N |
| SMILES |
C(SC1=CC=CC=C1)C1\C=C\CC\C=C\CC\C=C\C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892955 |
![1,5,9-Cyclododecatriene, 3-[(phenylthio)methyl]-, (E,E,E)-](/api/spectrum/EkFgfqVYtYm/structure.png?h=300&w=458 "1,5,9-Cyclododecatriene, 3-[(phenylthio)methyl]-, (E,E,E)-")
