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1-[(E)-3-Tosyl-2-propenyl]-1,3,5-triazin-2,4,6-trione
SpectraBase Compound ID 2FyQchgC1g9
InChI InChI=1S/C13H13N3O5S/c1-9-3-5-10(6-4-9)22(20,21)8-2-7-16-12(18)14-11(17)15-13(16)19/h2-6,8H,7H2,1H3,(H2,14,15,17,18,19)/b8-2+
InChIKey KVMRPYNPISTYEK-KRXBUXKQSA-N
Mol Weight 323.32 g/mol
Molecular Formula C13H13N3O5S
Exact Mass 323.057592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9a5pItB0vZa
Name 1-[(E)-3-Tosyl-2-propenyl]-1,3,5-triazin-2,4,6-trione
Alternate Name(s) 1-{(2E)-3-[(4-methylphenyl)sulfonyl]-2-propenyl}-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O5S
InChI InChI=1S/C13H13N3O5S/c1-9-3-5-10(6-4-9)22(20,21)8-2-7-16-12(18)14-11(17)15-13(16)19/h2-6,8H,7H2,1H3,(H2,14,15,17,18,19)/b8-2+
InChIKey KVMRPYNPISTYEK-KRXBUXKQSA-N
Molecular Weight 323.323 g/mol
SMILES N1C(NC(N(C1=O)C\C=C\S(c1ccc(cc1)C)(=O)=O)=O)=O
SPLASH splash10-014l-9600000000-6bb07b65335664288a61
Source of Spectrum F-47-6350-3
Wiley ID 1322287