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cis,trans-1-Methoxycarbonyl-2-phenyl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-di-one
SpectraBase Compound ID CQ8i9dkoMzy
InChI InChI=1S/C24H22O7/c1-23(2)30-21(27)24(22(28)31-23)17(19(25)15-12-8-5-9-13-15)16(18(24)20(26)29-3)14-10-6-4-7-11-14/h4-13,16-18H,1-3H3/t16-,17+,18+/m0/s1
InChIKey BXUSCTXSSQFFKK-RCCFBDPRSA-N
Mol Weight 422.43 g/mol
Molecular Formula C24H22O7
Exact Mass 422.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83pWrKW36T4
Name cis,trans-1-Methoxycarbonyl-2-phenyl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-di-one
Alternate Name(s) (1S,2S,3S)-methyl 3-benzoyl-7,7-dimethyl-5,9-dioxo-2-phenyl-6,8-dioxaspiro[3.5]nonane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O7
InChI InChI=1S/C24H22O7/c1-23(2)30-21(27)24(22(28)31-23)17(19(25)15-12-8-5-9-13-15)16(18(24)20(26)29-3)14-10-6-4-7-11-14/h4-13,16-18H,1-3H3/t16-,17+,18+/m0/s1
InChIKey BXUSCTXSSQFFKK-RCCFBDPRSA-N
Molecular Weight 422.433 g/mol
SMILES [C@]1([C@]([C@@](C11C(OC(OC1=O)(C)C)=O)(C(c1ccccc1)=O)[H])(c1ccccc1)[H])(C(=O)OC)[H]
SPLASH splash10-0bt9-3950000000-636c264f98924743255e
Source of Spectrum CJC-23-83-3b
Wiley ID 1774110