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Bicyclo[3.3.1]nonan-3-one, 7-methyl-6-(phenylmethoxy)-, (6-exo,7-endo)-(.+-.)-
SpectraBase Compound ID 1nQ3WcNgxYZ
InChI InChI=1S/C17H22O2/c1-12-7-14-8-15(10-16(18)9-14)17(12)19-11-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11H2,1H3
InChIKey XKRANMGTLRHKLT-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Th4LzH44Af
Name Bicyclo[3.3.1]nonan-3-one, 7-methyl-6-(phenylmethoxy)-, (6-exo,7-endo)-(.+-.)-
CAS Registry Number 132514-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-12-7-14-8-15(10-16(18)9-14)17(12)19-11-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11H2,1H3
InChIKey XKRANMGTLRHKLT-UHFFFAOYSA-N
Molecular Weight 258.361 g/mol
SMILES C12C(OCc3ccccc3)C(C)CC(C1)CC(C2)=O
SPLASH splash10-0006-9700000000-ea0a3f0795e2f4fa738e
Source of Spectrum C-113-2189-11
Synonyms (1S,5R,6S,7R)-6-(benzyloxy)-7-methylbicyclo[3.3.1]nonan-3-one (R,S)-(1l,2u,3l,5u)-2-benzylxy-3-methylbicyclo[3.3.1]nonan-7-one
Wiley ID 1262187