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3-Benzyl-3-(1',3'-dimethyl-2',4',6'-trioxo(hexahydro)pyrimidin-5'-ylidene)-tetrahydro-2H-(1,3)-thiazine
SpectraBase Compound ID 21kweUIvEIC
InChI InChI=1S/C17H19N3O3S/c1-18-14(21)13(15(22)19(2)17(18)23)16-20(9-6-10-24-16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKey XUCQZLXIOUPODB-UHFFFAOYSA-N
Mol Weight 345.42 g/mol
Molecular Formula C17H19N3O3S
Exact Mass 345.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFRWGeabiil
Name 3-Benzyl-3-(1',3'-dimethyl-2',4',6'-trioxo(hexahydro)pyrimidin-5'-ylidene)-tetrahydro-2H-(1,3)-thiazine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3O3S
InChI InChI=1S/C17H19N3O3S/c1-18-14(21)13(15(22)19(2)17(18)23)16-20(9-6-10-24-16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKey XUCQZLXIOUPODB-UHFFFAOYSA-N
Molecular Weight 345.417 g/mol
SMILES C1(C(N(C)C(N(C1=O)C)=O)=O)=C1N(Cc2ccccc2)CCCS1
SPLASH splash10-0006-9001000000-ac337232cbe3a2e62c8d
Source of Spectrum D8-323-619-2
Wiley ID 1513798