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1H-Pyrazole-1-butanoic acid, 3-[[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-, methyl ester
SpectraBase Compound ID 1cV4GLZW8h8
InChI InChI=1S/C18H17N3O5/c1-25-16(22)7-4-9-21-10-8-15(20-21)19-17(23)13-11-12-5-2-3-6-14(12)26-18(13)24/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,19,20,23)
InChIKey NHPQJWLGOLPUFY-UHFFFAOYSA-N
Mol Weight 355.35 g/mol
Molecular Formula C18H17N3O5
Exact Mass 355.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lhhjg8920rA
Name 1H-Pyrazole-1-butanoic acid, 3-[[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-, methyl ester
Alternate Name(s) 4-[3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-1-pyrazolyl]butanoic acid methyl ester Methyl 4-[3-[(2-oxochromene-3-carbonyl)amino]pyrazol-1-yl]butanoate Methyl 4-[3-[(2-oxidanylidenechromen-3-yl)carbonylamino]pyrazol-1-yl]butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O5
InChI InChI=1S/C18H17N3O5/c1-25-16(22)7-4-9-21-10-8-15(20-21)19-17(23)13-11-12-5-2-3-6-14(12)26-18(13)24/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,19,20,23)
InChIKey NHPQJWLGOLPUFY-UHFFFAOYSA-N
Molecular Weight 355.350 g/mol
SMILES N(c1n[n](CCCC(=O)OC)cc1)C(C=1C(Oc2c(C1)cccc2)=O)=O
SPLASH splash10-00xr-6941000000-93f02543b4c18bdcf160
Source of Spectrum IY-1-4345-7
Wiley ID 1651440