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rel-(1R,2S,3R,5R,6S)-5-hydroxy-1,3-dimethyl-7-methylenespiro[bicyclo[4.2.0]octane-2,1'-cyclopentan]-3'-one ethylene acetal

View entire compound with spectra: 1 MS (GC)

rel-(1R,2S,3R,5R,6S)-5-hydroxy-1,3-dimethyl-7-methylenespiro[bicyclo[4.2.0]octane-2,1'-cyclopentan]-3'-one ethylene acetal
SpectraBase Compound ID EnVbwn1PLo7
InChI InChI=1S/C17H26O3/c1-11-9-15(3)14(11)13(18)8-12(2)16(15)4-5-17(10-16)19-6-7-20-17/h12-14,18H,1,4-10H2,2-3H3/t12-,13-,14-,15-,16+/m1/s1
InChIKey ZGWBASJIWCSYJC-QCODTGAPSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgfjV8yADhU
Name rel-(1R,2S,3R,5R,6S)-5-hydroxy-1,3-dimethyl-7-methylenespiro[bicyclo[4.2.0]octane-2,1'-cyclopentan]-3'-one ethylene acetal
CAS Registry Number 113353-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-11-9-15(3)14(11)13(18)8-12(2)16(15)4-5-17(10-16)19-6-7-20-17/h12-14,18H,1,4-10H2,2-3H3/t12-,13-,14-,15-,16+/m1/s1
InChIKey ZGWBASJIWCSYJC-QCODTGAPSA-N
Molecular Weight 278.392 g/mol
SMILES O[C@]1([C@@]2([C@]([C@]3([C@](C)(C1)[H])CC1(OCCO1)CC3)(CC2=C)C)[H])[H]
SPLASH splash10-000i-9010000000-ff8afa1a33ac68bd5603
Source of Spectrum J-53-1625-10
Synonyms (1R,2S,3R,5R,6S)-1,3-dimethyl-7-methylidenedispiro[bicyclo[4.2.0]octane-2,1'-cyclopentane-3',2''-[1,3]dioxolane]-5-ol
Wiley ID 1282294