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(1R,6S)-bicyclo[4.1.0]heptan-2-one(3R,4R)-2,5-dimethoxy-2,5-dimethyl-3,4-hexanediol ketal
SpectraBase Compound ID EV5sxBoZ1qi
InChI InChI=1S/C17H30O4/c1-15(2,18-5)13-14(16(3,4)19-6)21-17(20-13)9-7-8-11-10-12(11)17/h11-14H,7-10H2,1-6H3/t11-,12+,13+,14+/m0/s1
InChIKey VMPYRFMQDKBBNQ-REWJHTLYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COiSHHIqLth
Name (1R,6S)-bicyclo[4.1.0]heptan-2-one(3R,4R)-2,5-dimethoxy-2,5-dimethyl-3,4-hexanediol ketal
CAS Registry Number 111970-39-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-15(2,18-5)13-14(16(3,4)19-6)21-17(20-13)9-7-8-11-10-12(11)17/h11-14H,7-10H2,1-6H3/t11-,12+,13+,14+/m0/s1
InChIKey VMPYRFMQDKBBNQ-REWJHTLYSA-N
Molecular Weight 298.423 g/mol
SMILES C12([C@@]3(C[C@]3([H])CCC1)[H])O[C@@](C(OC)(C)C)([C@@](O2)(C(OC)(C)C)[H])[H]
SPLASH splash10-00di-9200000000-1ae06f921bbe4896fe42
Source of Spectrum J-55-2051-15
Synonyms (1R,4'R,5'R,6S)-4',5'-bis(2-methoxypropan-2-yl)spiro[bicyclo[4.1.0]heptane-2,2'-[1,3]dioxolane]
Wiley ID 1301018