SpectraBase Spectrum ID |
GLkWginhKhg |
Name |
Naphtho[1,2-D]thiazole, 1-ethyl-1,2-dihydro-2-[3-(2-pyridinyl)-2-propen-1-ylidene]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
330.119069762 u |
Formula |
C21H18N2S |
InChI |
InChI=1S/C21H18N2S/c1-2-23-20(12-7-10-17-9-5-6-15-22-17)24-19-14-13-16-8-3-4-11-18(16)21(19)23/h3-15H,2H2,1H3/b10-7+,20-12- |
InChIKey |
CEVGMSKAIHVPTJ-NMSZSRSNSA-N |
Molecular Weight |
330.449 g/mol |
SMILES |
CCN1\C(SC2=CC=C3C=CC=CC3=C12)=C\C=C\C1=CC=CC=N1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857432 |