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(1R*,2R*,6R*,10R*)-2-(Benzyloxymethyl)-6-methyl-10-hydroxybicyclo[4.4.0]decan-2-carbonitrile
SpectraBase Compound ID Fs1qpH1NIVE
InChI InChI=1S/C20H27NO2/c1-19-10-5-9-17(22)18(19)20(14-21,12-6-11-19)15-23-13-16-7-3-2-4-8-16/h2-4,7-8,17-18,22H,5-6,9-13,15H2,1H3/t17-,18-,19+,20-/m1/s1
InChIKey IWBVFYGVDUHGHF-YSTOQKLRSA-N
Mol Weight 313.44 g/mol
Molecular Formula C20H27NO2
Exact Mass 313.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LeIt86xcfX
Name (1R*,2R*,6R*,10R*)-2-(Benzyloxymethyl)-6-methyl-10-hydroxybicyclo[4.4.0]decan-2-carbonitrile
Alternate Name(s) (1R,4aR,8R,8aR)-1-[(benzyloxy)methyl]-8-hydroxy-4a-methyldecahydro-1-naphthalenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO2
InChI InChI=1S/C20H27NO2/c1-19-10-5-9-17(22)18(19)20(14-21,12-6-11-19)15-23-13-16-7-3-2-4-8-16/h2-4,7-8,17-18,22H,5-6,9-13,15H2,1H3/t17-,18-,19+,20-/m1/s1
InChIKey IWBVFYGVDUHGHF-YSTOQKLRSA-N
Molecular Weight 313.441 g/mol
SMILES O[C@]1([C@]2([C@](C#N)(COCc3ccccc3)CCC[C@@]2(CCC1)C)[H])[H]
SPLASH splash10-0006-9000000000-235c487d8e471368cd35
Source of Spectrum F-57-132-22
Wiley ID 1549048