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Diethyl 5-(benzylamino)-3-methyl-1H-pyrazole-1,4-dicarboxylate
SpectraBase Compound ID I4FLtatzlj2
InChI InChI=1S/C17H21N3O4/c1-4-23-16(21)14-12(3)19-20(17(22)24-5-2)15(14)18-11-13-9-7-6-8-10-13/h6-10,18H,4-5,11H2,1-3H3
InChIKey JSDUBDFNHQWCBZ-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C17H21N3O4
Exact Mass 331.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lUpDwr2akS
Name Diethyl 5-(benzylamino)-3-methyl-1H-pyrazole-1,4-dicarboxylate
Alternate Name(s) 3-Methyl-5-[(phenylmethyl)amino]pyrazole-1,4-dicarboxylic acid diethyl ester Diethyl 5-(benzylamino)-3-methylpyrazole-1,4-dicarboxylate Diethyl 5-(benzylamino)-3-methyl-pyrazole-1,4-dicarboxylate Diethyl 3-methyl-5-[(phenylmethyl)amino]pyrazole-1,4-dicarboxylate
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Formula C17H21N3O4
InChI InChI=1S/C17H21N3O4/c1-4-23-16(21)14-12(3)19-20(17(22)24-5-2)15(14)18-11-13-9-7-6-8-10-13/h6-10,18H,4-5,11H2,1-3H3
InChIKey JSDUBDFNHQWCBZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010190213
Molecular Weight 331.372 g/mol
SMILES N(c1c(C(OCC)=O)c(n[n]1C(OCC)=O)C)Cc1ccccc1
SPLASH splash10-01ox-7094000000-04a1bc750f161325c9cb
Source of Spectrum CJC-19-187-6b
Wiley ID 1774745