| SpectraBase Spectrum ID |
Ib4jrIDq7S |
| Name |
Anti-N,N-dimethyl-2-(1-hydroxy-2,2-dimethylpropyl)-4-methyl-4-pentenethioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.165685602 u |
| Formula |
C13H25NOS |
| InChI |
InChI=1S/C13H25NOS/c1-9(2)8-10(12(16)14(6)7)11(15)13(3,4)5/h10-11,15H,1,8H2,2-7H3 |
| InChIKey |
UVOOFUAUDOTEPF-UHFFFAOYSA-N |
| Molecular Weight |
243.409 g/mol |
| SMILES |
C(C(=S)N(C)C)(C(C(C)(C)C)O)CC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925668 |
