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Ethyl 5-Amino-3-(methylthio)-1-[2-(naphthalen-3-yloxy)acetyl]-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 3twXtSEvoyN
InChI InChI=1S/C19H19N3O4S/c1-3-25-19(24)16-17(20)22(21-18(16)27-2)15(23)11-26-14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3,11,20H2,1-2H3
InChIKey NQJODEGEOXAXGG-UHFFFAOYSA-N
Mol Weight 385.44 g/mol
Molecular Formula C19H19N3O4S
Exact Mass 385.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HgRNv0pSqA
Name Ethyl 5-Amino-3-(methylthio)-1-[2-(naphthalen-3-yloxy)acetyl]-1H-pyrazole-4-carboxylate
Alternate Name(s) 5-amino-3-(methylthio)-1-[2-(2-naphthalenyloxy)-1-oxoethyl]-4-pyrazolecarboxylic acid ethyl ester ethyl 5-amino-3-methylsulfanyl-1-(2-naphthalen-2-yloxyacetyl)pyrazole-4-carboxylate ethyl 5-amino-3-methylsulfanyl-1-[2-(2-naphthyloxy)acetyl]pyrazole-4-carboxylate ethyl 5-azanyl-3-methylsulfanyl-1-(2-naphthalen-2-yloxyethanoyl)pyrazole-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C19H19N3O4S
InChI InChI=1S/C19H19N3O4S/c1-3-25-19(24)16-17(20)22(21-18(16)27-2)15(23)11-26-14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3,11,20H2,1-2H3
InChIKey NQJODEGEOXAXGG-UHFFFAOYSA-N
Molecular Weight 385.438 g/mol
SMILES Nc1[n](nc(SC)c1C(=O)OCC)C(COc1cc2ccccc2cc1)=O
SPLASH splash10-0006-0901000000-001a0907f562d5331791
Source of Spectrum E1-57-1350-8
Wiley ID 1661771