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Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester
SpectraBase Compound ID 7bROKizOsGi
InChI InChI=1S/C18H15N3O3S/c1-24-18(23)12-6-8-14(9-7-12)20-16(22)11-25-17-15-5-3-2-4-13(15)10-19-21-17/h2-10H,11H2,1H3,(H,20,22)
InChIKey MYZAZKVZPXCBDK-UHFFFAOYSA-N
Mol Weight 353.4 g/mol
Molecular Formula C18H15N3O3S
Exact Mass 353.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMZBXss5g4h
Name Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester
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Formula C18H15N3O3S
InChI InChI=1S/C18H15N3O3S/c1-24-18(23)12-6-8-14(9-7-12)20-16(22)11-25-17-15-5-3-2-4-13(15)10-19-21-17/h2-10H,11H2,1H3,(H,20,22)
InChIKey MYZAZKVZPXCBDK-UHFFFAOYSA-N
Molecular Weight 353.396 g/mol
SMILES N(C(=O)CSc1nncc2c1cccc2)c1ccc(cc1)C(OC)=O
SPLASH splash10-0udi-3980000000-11ea5da5337cbe88f00b
Source of Spectrum AD-0-2532-0
Synonyms 4-[[1-oxo-2-(1-phthalazinylthio)ethyl]amino]benzoic acid methyl ester 4-[[2-(phthalazin-1-ylthio)acetyl]amino]benzoic acid methyl ester Methyl 4-(2-phthalazin-1-ylsulfanylethanoylamino)benzoate Methyl 4-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoate
Wiley ID 1436137