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rel-(1S,3R,5S)-3-(3,3-Dimethyl-cyclobutyl)-3-hydroxy-5-methyl-bicyclo[3.2.0]heptan-2-one
SpectraBase Compound ID 4Mbg95rXW8o
InChI InChI=1S/C14H22O2/c1-12(2)6-9(7-12)14(16)8-13(3)5-4-10(13)11(14)15/h9-10,16H,4-8H2,1-3H3/t10-,13+,14-/m1/s1
InChIKey CRNJKCQCZOQYFZ-DDTOSNHZSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDhynmnblRT
Name rel-(1S,3R,5S)-3-(3,3-Dimethyl-cyclobutyl)-3-hydroxy-5-methyl-bicyclo[3.2.0]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-12(2)6-9(7-12)14(16)8-13(3)5-4-10(13)11(14)15/h9-10,16H,4-8H2,1-3H3/t10-,13+,14-/m1/s1
InChIKey CRNJKCQCZOQYFZ-DDTOSNHZSA-N
Molecular Weight 222.328 g/mol
SMILES O[C@@]1(C([C@]2(CC[C@]2(C1)C)[H])=O)C1CC(C1)(C)C
SPLASH splash10-08n9-9300000000-487b34b3c79621121390
Source of Spectrum F-65-1044-19
Wiley ID 1712687