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1H-Pyrazole-1-butanoic acid, 3-[[(5-bromo-2-furanyl)carbonyl]amino]-5-methyl-, methyl ester
SpectraBase Compound ID B8ewq6lTrAJ
InChI InChI=1S/C14H16BrN3O4/c1-9-8-12(16-14(20)10-5-6-11(15)22-10)17-18(9)7-3-4-13(19)21-2/h5-6,8H,3-4,7H2,1-2H3,(H,16,17,20)
InChIKey NVTPBDWFJIYDOS-UHFFFAOYSA-N
Mol Weight 370.2 g/mol
Molecular Formula C14H16BrN3O4
Exact Mass 369.032419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sl1tjNOPo4
Name 1H-Pyrazole-1-butanoic acid, 3-[[(5-bromo-2-furanyl)carbonyl]amino]-5-methyl-, methyl ester
Alternate Name(s) 4-[3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-5-methyl-1-pyrazolyl]butanoic acid methyl ester Methyl 4-[3-[(5-bromofuran-2-carbonyl)amino]-5-methylpyrazol-1-yl]butanoate Methyl 4-[3-[(5-bromofuran-2-carbonyl)amino]-5-methyl-pyrazol-1-yl]butanoate Methyl 4-[3-[(5-bromanylfuran-2-yl)carbonylamino]-5-methyl-pyrazol-1-yl]butanoate
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Formula C14H16BrN3O4
InChI InChI=1S/C14H16BrN3O4/c1-9-8-12(16-14(20)10-5-6-11(15)22-10)17-18(9)7-3-4-13(19)21-2/h5-6,8H,3-4,7H2,1-2H3,(H,16,17,20)
InChIKey NVTPBDWFJIYDOS-UHFFFAOYSA-N
Molecular Weight 370.203 g/mol
SMILES N(C(=O)c1ccc(o1)Br)c1cc([n](n1)CCCC(OC)=O)C
SPLASH splash10-0006-9740000000-2041abcb86eaad3c75e6
Source of Spectrum IY-1-4666-9
Wiley ID 1654652