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cis,trans-1-Methoxycarbonyl-2-m-bromophen-yl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-dione
SpectraBase Compound ID AIsbXPRQ1gd
InChI InChI=1S/C24H21BrO7/c1-23(2)31-21(28)24(22(29)32-23)17(19(26)13-8-5-4-6-9-13)16(18(24)20(27)30-3)14-10-7-11-15(25)12-14/h4-12,16-18H,1-3H3/t16-,17+,18+/m0/s1
InChIKey GOSUUHUFFVJNIS-RCCFBDPRSA-N
Mol Weight 501.33 g/mol
Molecular Formula C24H21BrO7
Exact Mass 500.047066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAkJoxhc6eL
Name cis,trans-1-Methoxycarbonyl-2-m-bromophen-yl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-dione
Alternate Name(s) (1S,2S,3S)-methyl 3-benzoyl-2-(3-bromophenyl)-7,7-dimethyl-5,9-dioxo-6,8-dioxaspiro[3.5]nonane-1-carboxylate
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Formula C24H21BrO7
InChI InChI=1S/C24H21BrO7/c1-23(2)31-21(28)24(22(29)32-23)17(19(26)13-8-5-4-6-9-13)16(18(24)20(27)30-3)14-10-7-11-15(25)12-14/h4-12,16-18H,1-3H3/t16-,17+,18+/m0/s1
InChIKey GOSUUHUFFVJNIS-RCCFBDPRSA-N
Molecular Weight 501.329 g/mol
SMILES [C@]1([C@]([C@@](C11C(OC(OC1=O)(C)C)=O)(C(c1ccccc1)=O)[H])(c1cccc(c1)Br)[H])(C(=O)OC)[H]
SPLASH splash10-0a4i-3900000000-83dee25a2437d3b358c2
Source of Spectrum CJC-23-84-3e
Wiley ID 1774113