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2-[(4-Nitrobenzyl)sulfanyl]-4-pyrimidinyl dimethylcarbamate
SpectraBase Compound ID x90eRDTZLS
InChI InChI=1S/C14H14N4O4S/c1-17(2)14(19)22-12-7-8-15-13(16-12)23-9-10-3-5-11(6-4-10)18(20)21/h3-8H,9H2,1-2H3
InChIKey VGKNHRYVODLDDL-UHFFFAOYSA-N
Mol Weight 334.35 g/mol
Molecular Formula C14H14N4O4S
Exact Mass 334.073576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eVn3GUDavm
Name 2-[(4-Nitrobenzyl)sulfanyl]-4-pyrimidinyl dimethylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N4O4S
InChI InChI=1S/C14H14N4O4S/c1-17(2)14(19)22-12-7-8-15-13(16-12)23-9-10-3-5-11(6-4-10)18(20)21/h3-8H,9H2,1-2H3
InChIKey VGKNHRYVODLDDL-UHFFFAOYSA-N
Molecular Weight 334.350 g/mol
SMILES CN(C(Oc1nc(SCc2ccc(N(=O)=O)cc2)ncc1)=O)C
SPLASH splash10-00di-9000000000-874fc0faff413af42ca4
Source of Spectrum AD-0-2532-0
Synonyms N,N-dimethylcarbamic acid [2-[(4-nitrophenyl)methylthio]-4-pyrimidinyl] ester [2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-yl] N,N-dimethylcarbamate
Wiley ID 1425805