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6-Phenylpyrimidine-2-thione-3-acetic acid
SpectraBase Compound ID EnoiacTpi4j
InChI InChI=1S/C12H10N2O2S/c15-11(16)8-14-7-6-10(13-12(14)17)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKey HTWIUYHKEWHDND-UHFFFAOYSA-N
Mol Weight 246.28 g/mol
Molecular Formula C12H10N2O2S
Exact Mass 246.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZemzHCdpmV
Name 6-Phenylpyrimidine-2-thione-3-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O2S
InChI InChI=1S/C12H10N2O2S/c15-11(16)8-14-7-6-10(13-12(14)17)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKey HTWIUYHKEWHDND-UHFFFAOYSA-N
Molecular Weight 246.284 g/mol
SMILES OC(CN1C(N=C(c2ccccc2)C=C1)=S)=O
SPLASH splash10-0v03-9640000000-17930bf616e31eba4cf6
Source of Spectrum SO-0-817-7
Synonyms (4-phenyl-2-thioxo-1(2H)-pyrimidinyl)acetic acid
Wiley ID 1540203