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5-(2-Sulfanylbenzoyl)-2-amino-4-(trifluoromethyl)pyrimidine

View entire compound with spectra: 1 MS (GC)

5-(2-Sulfanylbenzoyl)-2-amino-4-(trifluoromethyl)pyrimidine
SpectraBase Compound ID 7duuJH3772J
InChI InChI=1S/C12H8F3N3OS/c13-12(14,15)10-7(5-17-11(16)18-10)9(19)6-3-1-2-4-8(6)20/h1-5,20H,(H2,16,17,18)
InChIKey LZLVHUWJFQWXFF-UHFFFAOYSA-N
Mol Weight 299.27 g/mol
Molecular Formula C12H8F3N3OS
Exact Mass 299.034018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mGSxl1i5XS
Name 5-(2-Sulfanylbenzoyl)-2-amino-4-(trifluoromethyl)pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8F3N3OS
InChI InChI=1S/C12H8F3N3OS/c13-12(14,15)10-7(5-17-11(16)18-10)9(19)6-3-1-2-4-8(6)20/h1-5,20H,(H2,16,17,18)
InChIKey LZLVHUWJFQWXFF-UHFFFAOYSA-N
Molecular Weight 299.271 g/mol
SMILES Nc1nc(c(C(c2c(cccc2)S)=O)cn1)C(F)(F)F
SPLASH splash10-0012-0691000000-fe19e670633601aada22
Source of Spectrum F4-41-3239-8c
Wiley ID 1672827