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6'-[(.alpha.-Naphthyl)methyl]-6,6-dimethyl-bicyclo[3.1.1]heptyl-3-hydroxybutyrate
SpectraBase Compound ID 4zKkPWeqIgF
InChI InChI=1S/C24H30O3/c1-15(25)11-22(26)27-23-18(13-19-14-21(23)24(19,2)3)12-17-9-6-8-16-7-4-5-10-20(16)17/h4-10,15,18-19,21,23,25H,11-14H2,1-3H3/t15?,18-,19+,21+,23-/m1/s1
InChIKey PBAUTXWMITWADY-ILSZCFIRSA-N
Mol Weight 366.5 g/mol
Molecular Formula C24H30O3
Exact Mass 366.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xNjC5gGvLb
Name 6'-[(.alpha.-Naphthyl)methyl]-6,6-dimethyl-bicyclo[3.1.1]heptyl-3-hydroxybutyrate
Alternate Name(s) (1R,2R,3S,5S)-6,6-dimethyl-3-(1-naphthylmethyl)bicyclo[3.1.1]hept-2-yl 3-hydroxybutanoate 6'-[(.alpha.-Naphthyl)methyl]-menthyl 3-hydroxybutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O3
InChI InChI=1S/C24H30O3/c1-15(25)11-22(26)27-23-18(13-19-14-21(23)24(19,2)3)12-17-9-6-8-16-7-4-5-10-20(16)17/h4-10,15,18-19,21,23,25H,11-14H2,1-3H3/t15?,18-,19+,21+,23-/m1/s1
InChIKey PBAUTXWMITWADY-ILSZCFIRSA-N
Molecular Weight 366.501 g/mol
SMILES OC(CC(O[C@]1([C@]2(C(C)(C)[C@](C2)(C[C@]1(Cc1c2c(cccc2)ccc1)[H])[H])[H])[H])=O)C
SPLASH splash10-0006-9820000000-cbf54b791462fad1525c
Source of Spectrum SK-30-466-10
Wiley ID 880998