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cis,trans-1-Methoxycarbonyl-2-p-bromophen-yl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-dione
SpectraBase Compound ID C6lZMmCvENl
InChI InChI=1S/C24H21BrO7/c1-23(2)31-21(28)24(22(29)32-23)17(19(26)14-7-5-4-6-8-14)16(18(24)20(27)30-3)13-9-11-15(25)12-10-13/h4-12,16-18H,1-3H3/t16-,17+,18+/m0/s1
InChIKey ORRARZOCCPWQIE-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 5akGlndfHUW
Name cis,trans-1-Methoxycarbonyl-2-p-bromophen-yl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-dione
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Formula C24H21BrO7
InChI InChI=1S/C24H21BrO7/c1-23(2)31-21(28)24(22(29)32-23)17(19(26)14-7-5-4-6-8-14)16(18(24)20(27)30-3)13-9-11-15(25)12-10-13/h4-12,16-18H,1-3H3/t16-,17+,18+/m0/s1
InChIKey ORRARZOCCPWQIE-RCCFBDPRSA-N
Molecular Weight 501.329 g/mol
SMILES [C@]1([C@]([C@@](C11C(OC(OC1=O)(C)C)=O)(C(c1ccccc1)=O)[H])(c1ccc(cc1)Br)[H])(C(=O)OC)[H]
SPLASH splash10-0a4i-3901000000-bced81f393204643da32
Source of Spectrum CJC-23-83-3d
Synonyms (1S,2S,3S)-methyl 3-benzoyl-2-(4-bromophenyl)-7,7-dimethyl-5,9-dioxo-6,8-dioxaspiro[3.5]nonane-1-carboxylate
Wiley ID 1774112