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rel-(1R,2S,3R,5R,6S)-5-hydroxy-1,3-dimethylspiro[bicyclo[4.2.0]octane-2,1'-cyclopentane]-3',7-dione 3'-ethylene acetal
SpectraBase Compound ID 1Qym6VwEHMA
InChI InChI=1S/C16H24O4/c1-10-7-11(17)13-12(18)8-14(13,2)15(10)3-4-16(9-15)19-5-6-20-16/h10-11,13,17H,3-9H2,1-2H3/t10-,11-,13+,14-,15+/m1/s1
InChIKey YQPDEHQWSWEYRA-NXRJPMIISA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkyFlrpggbP
Name rel-(1R,2S,3R,5R,6S)-5-hydroxy-1,3-dimethylspiro[bicyclo[4.2.0]octane-2,1'-cyclopentane]-3',7-dione 3'-ethylene acetal
CAS Registry Number 113353-07-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-10-7-11(17)13-12(18)8-14(13,2)15(10)3-4-16(9-15)19-5-6-20-16/h10-11,13,17H,3-9H2,1-2H3/t10-,11-,13+,14-,15+/m1/s1
InChIKey YQPDEHQWSWEYRA-NXRJPMIISA-N
Molecular Weight 280.364 g/mol
SMILES O[C@]1([C@@]2([C@]([C@]3([C@](C)(C1)[H])CC1(OCCO1)CC3)(CC2=O)C)[H])[H]
SPLASH splash10-0f6t-9600000000-532305e7d6bad57c2486
Source of Spectrum J-53-1625-11
Synonyms (1R,2S,3R,5R,6S)-5-hydroxy-1,3-dimethyldispiro[bicyclo[4.2.0]octane-2,1'-cyclopentane-3',2''-[1,3]dioxolane]-7-one
Wiley ID 1283968