SpectraBase Spectrum ID |
BT4Kw2hWhlq |
Name |
5-Thiazolethiol, 4,5-dihydro-4,4-dimethyl-2-phenyl-5-(2-propenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
263.080241899 u |
Formula |
C14H17NS2 |
InChI |
InChI=1S/C14H17NS2/c1-4-10-14(16)13(2,3)15-12(17-14)11-8-6-5-7-9-11/h4-9,16H,1,10H2,2-3H3 |
InChIKey |
PFRPKGGZXXADAL-UHFFFAOYSA-N |
SMILES |
C=1(SC(C(N1)(C)C)(S)CC=C)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906829 |