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3-Ethyl-2-(4-methoxybenzoylimino)-1,3-benzothiazoline
SpectraBase Compound ID 13bN48CtQRa
InChI InChI=1S/C17H16N2O2S/c1-3-19-14-6-4-5-7-15(14)22-17(19)18-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3/b18-17-
InChIKey OHMNCRAYWDRIHW-ZCXUNETKSA-N
Mol Weight 312.39 g/mol
Molecular Formula C17H16N2O2S
Exact Mass 312.093249 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7cGdBCDh3Xu
Name 3-Ethyl-2-(4-methoxybenzoylimino)-1,3-benzothiazoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.093248935 u
Formula C17H16N2O2S
InChI InChI=1S/C17H16N2O2S/c1-3-19-14-6-4-5-7-15(14)22-17(19)18-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3/b18-17-
InChIKey OHMNCRAYWDRIHW-ZCXUNETKSA-N
Molecular Weight 312.387 g/mol
SMILES C=12N(\C(SC2=CC=CC1)=N/C(C=1C=CC(=CC1)OC)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863848