| SpectraBase Spectrum ID |
8quKDwQSpEi |
| Name |
1-Tert-butylsulfanyl-2,2-dimethyl-indan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.144221882 u |
| Formula |
C15H22S |
| InChI |
InChI=1S/C15H22S/c1-14(2,3)16-13-12-9-7-6-8-11(12)10-15(13,4)5/h6-9,13H,10H2,1-5H3 |
| InChIKey |
KJJIQCUPOLYITA-UHFFFAOYSA-N |
| Molecular Weight |
234.401 g/mol |
| SMILES |
C1(C(CC=2C1=CC=CC2)(C)C)SC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929675 |
