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2-N-(N'-methyl-N'-phenylcarbamoyl)pentadeuterioanilino-5,6-dihydro-4H-1,3-thiazine
SpectraBase Compound ID KjBEosj1EwA
InChI InChI=1S/C18H19N3OS/c1-21(16-6-3-2-4-7-16)18(22)20-15-10-8-14(9-11-15)17-19-12-5-13-23-17/h2-4,6-11H,5,12-13H2,1H3,(H,20,22)/i2D,3D,4D,6D,7D
InChIKey GIDSZDHRVXKFBY-QRKCWBMQSA-N
Mol Weight 330.46 g/mol
Molecular Formula C18H142D5N3OS
Exact Mass 330.156267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jw4BHCbLPdz
Name 2-N-(N'-methyl-N'-phenylcarbamoyl)pentadeuterioanilino-5,6-dihydro-4H-1,3-thiazine
Alternate Name(s) 2-N-(N'-methyl-N'-phenylcarbamoyl)anilino-5,6-dihydro-4H-1,3-thiazine 4H-1,3-Thiazine, urea deriv. Urea, N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methyl-N,N'-diphenyl-
CAS Registry Number 129663-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14D5N3OS
InChI InChI=1S/C18H19N3OS/c1-21(16-6-3-2-4-7-16)18(22)20-15-10-8-14(9-11-15)17-19-12-5-13-23-17/h2-4,6-11H,5,12-13H2,1H3,(H,20,22)/i2D,3D,4D,6D,7D
InChIKey GIDSZDHRVXKFBY-QRKCWBMQSA-N
Molecular Weight 330.461 g/mol
SMILES N(C(N(c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])C)=O)c1ccc(C2=NCCCS2)cc1
SPLASH splash10-001i-2940000000-f4dd71407d390b330f62
Source of Spectrum Y-27-907-10
Wiley ID 1323988