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(2S,3R)-2-benzyl-3-(2-furoyl)cyclohexanone
SpectraBase Compound ID 2n8Sa26IuXl
InChI InChI=1S/C18H18O3/c19-16-9-4-8-14(18(20)17-10-5-11-21-17)15(16)12-13-6-2-1-3-7-13/h1-3,5-7,10-11,14-15H,4,8-9,12H2/t14-,15+/m1/s1
InChIKey VKPGFEHWLWPZAA-CABCVRRESA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CHeWTaeh41
Name (2S,3R)-2-benzyl-3-(2-furoyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3
InChI InChI=1S/C18H18O3/c19-16-9-4-8-14(18(20)17-10-5-11-21-17)15(16)12-13-6-2-1-3-7-13/h1-3,5-7,10-11,14-15H,4,8-9,12H2/t14-,15+/m1/s1
InChIKey VKPGFEHWLWPZAA-CABCVRRESA-N
Molecular Weight 282.339 g/mol
SMILES C([C@]1([C@@](C(=O)CCC1)(Cc1ccccc1)[H])[H])(c1occc1)=O
SPLASH splash10-000i-5910000000-fac5b92a554091eb4839
Source of Spectrum SO-0-664-5
Synonyms (2S,3R)-2-benzyl-3-(furan-2-carbonyl)cyclohexan-1-one (2S,3R)-2-benzyl-3-(furan-2-carbonyl)cyclohexanone (2S,3R)-3-(furan-2-ylcarbonyl)-2-(phenylmethyl)cyclohexan-1-one (2S,3R)-3-[2-furanyl(oxo)methyl]-2-(phenylmethyl)-1-cyclohexanone
Wiley ID 873037