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6'-Benzyl-6,6-dimethyl-bicyclo[3.1.1]heptyl-3-hydroxybutyrate
SpectraBase Compound ID 2xGTjUsKEgF
InChI InChI=1S/C20H28O3/c1-13(21)9-18(22)23-19-15(10-14-7-5-4-6-8-14)11-16-12-17(19)20(16,2)3/h4-8,13,15-17,19,21H,9-12H2,1-3H3/t13?,15-,16+,17+,19-/m1/s1
InChIKey IMZWKHBFYWVUBI-YMVHXCNRSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56YwBDjBtXM
Name 6'-Benzyl-6,6-dimethyl-bicyclo[3.1.1]heptyl-3-hydroxybutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-13(21)9-18(22)23-19-15(10-14-7-5-4-6-8-14)11-16-12-17(19)20(16,2)3/h4-8,13,15-17,19,21H,9-12H2,1-3H3/t13?,15-,16+,17+,19-/m1/s1
InChIKey IMZWKHBFYWVUBI-YMVHXCNRSA-N
Molecular Weight 316.441 g/mol
SMILES OC(CC(O[C@]1([C@]2(C(C)(C)[C@](C2)(C[C@]1(Cc1ccccc1)[H])[H])[H])[H])=O)C
SPLASH splash10-006x-9730000000-15e5922e2cfa6c5d0911
Source of Spectrum SK-30-465-10
Synonyms (1R,2R,3S,5S)-3-benzyl-6,6-dimethylbicyclo[3.1.1]hept-2-yl 3-hydroxybutanoate 6'-Benzylmenthyl 3-hydroxybutyrate
Wiley ID 881001