| SpectraBase Spectrum ID |
A0G1WiHMo8y |
| Name |
3,3-Dimethyl-2,4-dihydro-6,8-dineopentylbenzo[B]thiapyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.238122269 u |
| Formula |
C21H34S |
| InChI |
InChI=1S/C21H34S/c1-19(2,3)11-15-9-16(12-20(4,5)6)18-17(10-15)13-21(7,8)14-22-18/h9-10H,11-14H2,1-8H3 |
| InChIKey |
RHBLEIABFLVALN-UHFFFAOYSA-N |
| Molecular Weight |
318.563 g/mol |
| SMILES |
C=12SCC(CC2=CC(=CC1CC(C)(C)C)CC(C)(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954783 |
![3,3-Dimethyl-2,4-dihydro-6,8-dineopentylbenzo[b]thiapyran](/api/spectrum/A0G1WiHMo8y/structure.png?h=300&w=458 "3,3-Dimethyl-2,4-dihydro-6,8-dineopentylbenzo[b]thiapyran")
