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5-Thiophenoxymethyl-4-pyridazinecarboxylic acid
SpectraBase Compound ID KFDbAVgVmbs
InChI InChI=1S/C12H10N2O2S/c15-12(16)11-7-14-13-6-9(11)8-17-10-4-2-1-3-5-10/h1-7H,8H2,(H,15,16)
InChIKey RTRLCDIIFMUWDC-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 FU2sjXNLXqo
Name 5-Thiophenoxymethyl-4-pyridazinecarboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H10N2O2S
InChI InChI=1S/C12H10N2O2S/c15-12(16)11-7-14-13-6-9(11)8-17-10-4-2-1-3-5-10/h1-7H,8H2,(H,15,16)
InChIKey RTRLCDIIFMUWDC-UHFFFAOYSA-N
Molecular Weight 246.284 g/mol
SMILES OC(c1c(CSc2ccccc2)cnnc1)=O
SPLASH splash10-0006-9000000000-3d7ab6b7508d2d3a521c
Source of Spectrum H1-41-1469-1
Synonyms 5-[(phenylsulfanyl)methyl]-4-pyridazinecarboxylic acid
Wiley ID 757338