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Naphtho[1,2-d]thiazole, 1-ethyl-1,2-dihydro-2-[3-(2-pyridinyl)-2-propen-1-ylidene]-
SpectraBase Compound ID IZs4T843OTG
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
Mol Weight 330.45 g/mol
Molecular Formula C21H18N2S
Exact Mass 330.11907 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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