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(1R,1'R,2S,3S,5R)-(+)-6,6-Dimethyl-2-(1-phenylbutoxy)methylbicyclo[3.1.1]heptane-2,3-diol

View entire compound with spectra: 1 MS (GC)

(1R,1'R,2S,3S,5R)-(+)-6,6-Dimethyl-2-(1-phenylbutoxy)methylbicyclo[3.1.1]heptane-2,3-diol
SpectraBase Compound ID KZM9662mfx3
InChI InChI=1S/C20H30O3/c1-4-8-16(14-9-6-5-7-10-14)23-13-20(22)17-11-15(12-18(20)21)19(17,2)3/h5-7,9-10,15-18,21-22H,4,8,11-13H2,1-3H3/t15-,16-,17+,18+,20+/m1/s1
InChIKey WKTLYMVLCPCNAA-JGLNRKDHSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tCRch9pWuB
Name (1R,1'R,2S,3S,5R)-(+)-6,6-Dimethyl-2-(1-phenylbutoxy)methylbicyclo[3.1.1]heptane-2,3-diol
Alternate Name(s) (1S,2R,3S,5R)-6,6-dimethyl-2-{[(1R)-1-phenylbutoxy]methyl}bicyclo[3.1.1]heptane-2,3-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-4-8-16(14-9-6-5-7-10-14)23-13-20(22)17-11-15(12-18(20)21)19(17,2)3/h5-7,9-10,15-18,21-22H,4,8,11-13H2,1-3H3/t15-,16-,17+,18+,20+/m1/s1
InChIKey WKTLYMVLCPCNAA-JGLNRKDHSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@]1(C[C@@]2(C([C@@]([C@]1(CO[C@@](c1ccccc1)(CCC)[H])O)(C2)[H])(C)C)[H])[H]
SPLASH splash10-0a4i-0900000000-c469bceb06daeda244a8
Source of Spectrum J-64-3212-8
Wiley ID 1529992