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N4-(4-Bromo-2-methylphenyl)morpholine-4-carbothioamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N4-(4-Bromo-2-methylphenyl)morpholine-4-carbothioamide
SpectraBase Compound ID ZA85XlLRpV
InChI InChI=1S/C12H15BrN2OS/c1-9-8-10(13)2-3-11(9)14-12(17)15-4-6-16-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,17)
InChIKey NFMADILNSMEYRV-UHFFFAOYSA-N
Mol Weight 315.23 g/mol
Molecular Formula C12H15BrN2OS
Exact Mass 314.008847 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3dlikMwLvIW
Name N4-(4-Bromo-2-methylphenyl)morpholine-4-carbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.008847284 u
Formula C12H15BrN2OS
InChI InChI=1S/C12H15BrN2OS/c1-9-8-10(13)2-3-11(9)14-12(17)15-4-6-16-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,17)
InChIKey NFMADILNSMEYRV-UHFFFAOYSA-N
Molecular Weight 315.229 g/mol
SMILES C(NC1=C(C)C=C(C=C1)Br)(N1CCOCC1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826253