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5-(Bromomethyl)-2-(phenylamino)-4,5-dihydrothiazol, N-acetyl

View entire compound with spectra: 1 FTIR

5-(Bromomethyl)-2-(phenylamino)-4,5-dihydrothiazol, N-acetyl
SpectraBase Compound ID II8y71q4fSb
InChI InChI=1S/C12H13BrN2OS/c1-9(16)15(10-5-3-2-4-6-10)12-14-8-11(7-13)17-12/h2-6,11H,7-8H2,1H3
InChIKey XWFJEBODTSNLOC-UHFFFAOYSA-N
Mol Weight 313.21 g/mol
Molecular Formula C12H13BrN2OS
Exact Mass 311.993197 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7LktvISklsM
Name 5-(Bromomethyl)-2-(phenylamino)-4,5-dihydrothiazol, N-acetyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.993197220 u
Formula C12H13BrN2OS
InChI InChI=1S/C12H13BrN2OS/c1-9(16)15(10-5-3-2-4-6-10)12-14-8-11(7-13)17-12/h2-6,11H,7-8H2,1H3
InChIKey XWFJEBODTSNLOC-UHFFFAOYSA-N
Molecular Weight 313.213 g/mol
SMILES C(C1SC(N(C2=CC=CC=C2)C(C)=O)=NC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862645