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3-(p-Bromophenyl)-2-[(4'-methylbenzoyl)imino]-4-methyl-1,3-thiazoline
SpectraBase Compound ID GZ3ANMkH6VM
InChI InChI=1S/C18H15BrN2OS/c1-12-3-5-14(6-4-12)17(22)20-18-21(13(2)11-23-18)16-9-7-15(19)8-10-16/h3-11H,1-2H3/b20-18-
InChIKey BXCTUUNJVVHXQM-ZZEZOPTASA-N
Mol Weight 387.3 g/mol
Molecular Formula C18H15BrN2OS
Exact Mass 386.008847 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K8mMsPDA3fg
Name 3-(p-Bromophenyl)-2-[(4'-methylbenzoyl)imino]-4-methyl-1,3-thiazoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.008847284 u
Formula C18H15BrN2OS
InChI InChI=1S/C18H15BrN2OS/c1-12-3-5-14(6-4-12)17(22)20-18-21(13(2)11-23-18)16-9-7-15(19)8-10-16/h3-11H,1-2H3/b20-18-
InChIKey BXCTUUNJVVHXQM-ZZEZOPTASA-N
Molecular Weight 387.295 g/mol
SMILES C(\N=C\1N(C(C)=CS1)C=1C=CC(=CC1)Br)(C=1C=CC(=CC1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912356