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(1R,4S,6S)-4-(1,1-dimethylethyl)bicyclo[4.1.0]heptan-2-one(2S,3S)-2,3-butanediol ketal

View entire compound with spectra: 1 MS (GC)

(1R,4S,6S)-4-(1,1-dimethylethyl)bicyclo[4.1.0]heptan-2-one(2S,3S)-2,3-butanediol ketal
SpectraBase Compound ID 27AimMLRqJp
InChI InChI=1S/C15H26O2/c1-8-9(2)17-14-12(15(3,4)5)7-10-6-11(10)13(14)16-8/h8-14H,6-7H2,1-5H3/t8-,9-,10-,11+,12+,13?,14?/m0/s1
InChIKey WIMSAWQAPBDUBF-FSIUNCDRSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEoUUY7WZr6
Name (1R,4S,6S)-4-(1,1-dimethylethyl)bicyclo[4.1.0]heptan-2-one(2S,3S)-2,3-butanediol ketal
Alternate Name(s) (2S,3S,5S,6aS,7aR)-5-tert-butyl-2,3-dimethyloctahydro-4aH-cyclopropa[f][1,4]benzodioxin
CAS Registry Number 125473-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-8-9(2)17-14-12(15(3,4)5)7-10-6-11(10)13(14)16-8/h8-14H,6-7H2,1-5H3/t8-,9-,10-,11+,12+,13?,14?/m0/s1
InChIKey WIMSAWQAPBDUBF-FSIUNCDRSA-N
Molecular Weight 238.371 g/mol
SMILES [C@@]12(C3C(O[C@]([C@@](O3)(C)[H])(C)[H])[C@@](C[C@]1([H])C2)(C(C)(C)C)[H])[H]
SPLASH splash10-0560-5900000000-cd24af0e9d5de9c050c5
Source of Spectrum J-55-2059-14
Wiley ID 1241196