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2-Pentadeuteriophenylimino-3-[N-methyl-N-phenylcarbamoyl]tetrahydro-1,3-thiazine
SpectraBase Compound ID DO2abUP2Eh6
InChI InChI=1S/C18H19N3OS/c1-20(16-11-6-3-7-12-16)18(22)21-13-8-14-23-17(21)19-15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3/b19-17-/i2D,4D,5D,9D,10D
InChIKey FZYLWNNPPPOPLE-KKBDFTJISA-N
Mol Weight 330.46 g/mol
Molecular Formula C18H14D5N3OS
Exact Mass 330.156267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpDMxbOMClw
Name 2-Pentadeuteriophenylimino-3-[N-methyl-N-phenylcarbamoyl]tetrahydro-1,3-thiazine
CAS Registry Number 129663-51-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14D5N3OS
InChI InChI=1S/C18H19N3OS/c1-20(16-11-6-3-7-12-16)18(22)21-13-8-14-23-17(21)19-15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3/b19-17-/i2D,4D,5D,9D,10D
InChIKey FZYLWNNPPPOPLE-KKBDFTJISA-N
Molecular Weight 330.461 g/mol
SMILES C(N1\C(=N\c2c(c([D])c(c(c2[D])[D])[D])[D])SCCC1)(N(c1ccccc1)C)=O
SPLASH splash10-001i-2940000000-d80dd8f9f3c7227a5d98
Source of Spectrum Y-27-907-10
Synonyms 2-Phenylimino-3-[N-methyl-N-phenylcarbamoyl]tetrahydro-1,3-thiazine 2H-1,3-Thiazine-3(4H)-carboxamide, dihydro-N-methyl-N-phenyl-2-(phenylimino)-
Wiley ID 1323987