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6-Methoxy-1-(4-methoxy-2-nitro-phenyl)-6-methyl-1,3-diazinane-2-thione
SpectraBase Compound ID F9qvYMLQbKQ
InChI InChI=1S/C13H17N3O4S/c1-13(20-3)6-7-14-12(21)15(13)10-5-4-9(19-2)8-11(10)16(17)18/h4-5,8H,6-7H2,1-3H3,(H,14,21)
InChIKey SMTPNZKSMXIEHD-UHFFFAOYSA-N
Mol Weight 311.36 g/mol
Molecular Formula C13H17N3O4S
Exact Mass 311.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kb5lSR1RFaH
Name 6-Methoxy-1-(4-methoxy-2-nitro-phenyl)-6-methyl-1,3-diazinane-2-thione
Alternate Name(s) 6-Methoxy-1-(4-methoxy-2-nitro-phenyl)-6-methyl-hexahydropyrimidine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O4S
InChI InChI=1S/C13H17N3O4S/c1-13(20-3)6-7-14-12(21)15(13)10-5-4-9(19-2)8-11(10)16(17)18/h4-5,8H,6-7H2,1-3H3,(H,14,21)
InChIKey SMTPNZKSMXIEHD-UHFFFAOYSA-N
Molecular Weight 311.356 g/mol
SMILES N1CCC(N(C1=S)c1c(N(=O)=O)cc(cc1)OC)(OC)C
SPLASH splash10-001i-0090000000-b3cba0e7daea8f18f673
Source of Spectrum SO-0-880-6
Wiley ID 876640