| SpectraBase Spectrum ID |
624n11vpx1Y |
| Name |
1,3-Dithia-2-(((1S,2S)-1-methyl-2-benzyloxy-3,4-(dimethylmethylenedioxy)-butyl)-methylene)-cyclohexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.147987107 u |
| Formula |
C20H28O3S2 |
| InChI |
InChI=1S/C20H28O3S2/c1-15(12-18-24-10-7-11-25-18)19(17-14-22-20(2,3)23-17)21-13-16-8-5-4-6-9-16/h4-6,8-9,12,15,17,19H,7,10-11,13-14H2,1-3H3/t15-,17?,19-/m0/s1 |
| InChIKey |
SWPZDPBWJQPKNQ-ZRHIXDKOSA-N |
| Molecular Weight |
380.561 g/mol |
| SMILES |
C1(OC(OC1)(C)C)[C@]([C@](C=C1SCCCS1)(C)[H])(OCC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957982 |
