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(4-Nitrophenyl)-2-propylbutanoic acid
SpectraBase Compound ID APe1nvmRHUM
InChI InChI=1S/C13H17NO4/c1-2-3-11(13(15)16)7-4-10-5-8-12(9-6-10)14(17)18/h5-6,8-9,11H,2-4,7H2,1H3,(H,15,16)
InChIKey INMIPLWTTOORRS-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3g5G2wQlON8
Name (4-Nitrophenyl)-2-propylbutanoic acid
Alternate Name(s) 2-Ethyl-2-(4-nitrophenyl)pentanoic acid 4-(4-Nitrophenyl)-2-propylbutanoic acid 2-[2-(4-nitrophenyl)ethyl]pentanoic acid
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Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-2-3-11(13(15)16)7-4-10-5-8-12(9-6-10)14(17)18/h5-6,8-9,11H,2-4,7H2,1H3,(H,15,16)
InChIKey INMIPLWTTOORRS-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES OC(C(CCc1ccc(N(=O)=O)cc1)CCC)=O
SPLASH splash10-0uk9-8910000000-a6fe6f2dd20d5751f142
Source of Spectrum J-63-1858-7
Wiley ID 1254515