SpectraBase Spectrum ID |
BiYxuQgfSac |
Name |
Thiazole, 5-(butylthio)-4,5-dihydro-4,4,5-trimethyl-2-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
293.127192093 u |
Formula |
C16H23NS2 |
InChI |
InChI=1S/C16H23NS2/c1-5-6-12-18-16(4)15(2,3)17-14(19-16)13-10-8-7-9-11-13/h7-11H,5-6,12H2,1-4H3 |
InChIKey |
LBLZIORNRQZPEX-UHFFFAOYSA-N |
SMILES |
C=1(SC(C(N1)(C)C)(SCCCC)C)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919173 |