| SpectraBase Spectrum ID |
9YrISw8UZI8 |
| Name |
(S)-(+)-2-T-butylthio-3-cyclohexylpropanal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.154786566 u |
| Formula |
C13H24OS |
| InChI |
InChI=1S/C13H24OS/c1-13(2,3)15-12(10-14)9-11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3/t12-/m0/s1 |
| InChIKey |
LCRYEASVTYKOMX-LBPRGKRZSA-N |
| Molecular Weight |
228.394 g/mol |
| SMILES |
C(S[C@](C=O)(CC1CCCCC1)[H])(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864841 |
