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4,6-Dimethyl-2-[(4-nitrobenzyl)sulfanyl]pyrimidine
SpectraBase Compound ID PBzaV5SN0j
InChI InChI=1S/C13H13N3O2S/c1-9-7-10(2)15-13(14-9)19-8-11-3-5-12(6-4-11)16(17)18/h3-7H,8H2,1-2H3
InChIKey VRRVTSNVLDQZGZ-UHFFFAOYSA-N
Mol Weight 275.33 g/mol
Molecular Formula C13H13N3O2S
Exact Mass 275.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHLUg9VsbRK
Name 4,6-Dimethyl-2-[(4-nitrobenzyl)sulfanyl]pyrimidine
CAS Registry Number 55749-84-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O2S
InChI InChI=1S/C13H13N3O2S/c1-9-7-10(2)15-13(14-9)19-8-11-3-5-12(6-4-11)16(17)18/h3-7H,8H2,1-2H3
InChIKey VRRVTSNVLDQZGZ-UHFFFAOYSA-N
Molecular Weight 275.326 g/mol
SMILES Cc1nc(SCc2ccc(N(=O)=O)cc2)nc(c1)C
SPLASH splash10-0550-9310000000-fe0b953d1d67d1c94c7e
Source of Spectrum AD-0-2532-0
Synonyms 4,6-Dimethyl-2-[(4-nitrobenzyl)thio]pyrimidine 4,6-Dimethyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimidine 4,6-Dimethyl-2-[(4-nitrophenyl)methylthio]pyrimidine Pyrimidine, 4,6-dimethyl-2-(4-nitrobenzyl)thio-
Wiley ID 1424044