| SpectraBase Spectrum ID |
4RBOqxLgWIw |
| Name |
(4R)-(all-E)-1-Ethylsulfanyl-4-isopropyl-1,7,11-trimethylcyclotetradeca-2,7,11-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.269422398 u |
| Formula |
C22H38S |
| InChI |
InChI=1S/C22H38S/c1-7-23-22(6)16-9-12-19(4)10-8-11-20(5)13-14-21(15-17-22)18(2)3/h11-12,15,17-18,21H,7-10,13-14,16H2,1-6H3/b17-15+,19-12+,20-11+/t21-,22?/m0/s1 |
| InChIKey |
AEDMBESATKMALX-IHRRRGHFSA-N |
| Molecular Weight |
334.606 g/mol |
| SMILES |
C1(\C=C\[C@](CC\C(=C\CC\C(=C\CC1)C)C)(C(C)C)[H])(SCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814434 |
