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(1a,3a,4a,6a)-3,4-di(benzoyloxy)-8,8-dimethylbicyclo[4.2.0]octan-7-one

View entire compound with spectra: 1 MS (GC)

(1a,3a,4a,6a)-3,4-di(benzoyloxy)-8,8-dimethylbicyclo[4.2.0]octan-7-one
SpectraBase Compound ID 58aVornYhDL
InChI InChI=1S/C24H24O5/c1-24(2)18-14-20(29-23(27)16-11-7-4-8-12-16)19(13-17(18)21(24)25)28-22(26)15-9-5-3-6-10-15/h3-12,17-20H,13-14H2,1-2H3/t17-,18+,19-,20+/m1/s1
InChIKey NIMMIFPURJSLAG-WCIQWLHISA-N
Mol Weight 392.45 g/mol
Molecular Formula C24H24O5
Exact Mass 392.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HA7mFNyDGv
Name (1a,3a,4a,6a)-3,4-di(benzoyloxy)-8,8-dimethylbicyclo[4.2.0]octan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24O5
InChI InChI=1S/C24H24O5/c1-24(2)18-14-20(29-23(27)16-11-7-4-8-12-16)19(13-17(18)21(24)25)28-22(26)15-9-5-3-6-10-15/h3-12,17-20H,13-14H2,1-2H3/t17-,18+,19-,20+/m1/s1
InChIKey NIMMIFPURJSLAG-WCIQWLHISA-N
Molecular Weight 392.451 g/mol
SMILES [C@@]12([C@](C[C@]([C@](C2)(OC(=O)c2ccccc2)[H])(OC(=O)c2ccccc2)[H])([H])C(C1(C)C)=O)[H]
SPLASH splash10-0a4i-0900000000-fec6b7c2cf68e5b238c4
Source of Spectrum B-46-1941-0
Synonyms (1S,3S,4R,6R)-4-(benzoyloxy)-8,8-dimethyl-7-oxobicyclo[4.2.0]oct-3-yl benzoate
Wiley ID 1365950