| SpectraBase Spectrum ID |
JYnhkvGD7RH |
| Name |
N-(2,5-Ditert-butylphenyl)-N,2,4-trimethyl-4-pentenethioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.249021305 u |
| Formula |
C22H35NS |
| InChI |
InChI=1S/C22H35NS/c1-15(2)13-16(3)20(24)23(10)19-14-17(21(4,5)6)11-12-18(19)22(7,8)9/h11-12,14,16H,1,13H2,2-10H3 |
| InChIKey |
YUDGEMJMDLLTRM-UHFFFAOYSA-N |
| Molecular Weight |
345.589 g/mol |
| SMILES |
C(C(CC(=C)C)C)(N(C)C=1C(=CC=C(C1)C(C)(C)C)C(C)(C)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947418 |
