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4,5-Diketo-7-phenyl-enanthic acid 4-bromobutyl ester
SpectraBase Compound ID 9NAHdcVfQKv
InChI InChI=1S/C17H21BrO4/c18-12-4-5-13-22-17(21)11-10-16(20)15(19)9-8-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKey HRZBNNFHKJFFQX-UHFFFAOYSA-N
Mol Weight 369.26 g/mol
Molecular Formula C17H21BrO4
Exact Mass 368.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfKLX1o66Pz
Name 4,5-Diketo-7-phenyl-enanthic acid 4-bromobutyl ester
Alternate Name(s) 4,5-Dioxo-7-phenylheptanoic acid 4-bromobutyl ester 4-Bromanylbutyl 4,5-bis(oxidanylidene)-7-phenyl-heptanoate 4-Bromobutyl 4,5-dioxo-7-phenyl-heptanoate Benzeneheptanoic acid, 4,5-dioxo-, 4-bromobutyl ester
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Formula C17H21BrO4
InChI InChI=1S/C17H21BrO4/c18-12-4-5-13-22-17(21)11-10-16(20)15(19)9-8-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKey HRZBNNFHKJFFQX-UHFFFAOYSA-N
Molecular Weight 369.255 g/mol
SMILES c1(ccccc1)CCC(=O)C(=O)CCC(=O)OCCCCBr
SPLASH splash10-0a4u-7900000000-b274ba83776ef4662917
Wiley ID 1479616