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(S)-trans 2-(2'-(4-methylphenyl)cyclopropyl)-4,4-dimethylpentan-3-one
SpectraBase Compound ID JPRGvGz3dUY
InChI InChI=1S/C17H24O/c1-11-6-8-13(9-7-11)15-10-14(15)12(2)16(18)17(3,4)5/h6-9,12,14-15H,10H2,1-5H3/t12-,14-,15-/m0/s1
InChIKey VSIVIGQHDWFAPJ-QEJZJMRPSA-N
Mol Weight 244.38 g/mol
Molecular Formula C17H24O
Exact Mass 244.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67V59DeEOlL
Name (S)-trans 2-(2'-(4-methylphenyl)cyclopropyl)-4,4-dimethylpentan-3-one
Alternate Name(s) (S)-2,2-dimethyl-4-((1R,2R)-2-(p-tolyl)cyclopropyl)pentan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O
InChI InChI=1S/C17H24O/c1-11-6-8-13(9-7-11)15-10-14(15)12(2)16(18)17(3,4)5/h6-9,12,14-15H,10H2,1-5H3/t12-,14-,15-/m0/s1
InChIKey VSIVIGQHDWFAPJ-QEJZJMRPSA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 244.378 g/mol
SMILES C(C([C@]([C@]1([C@@](C1)(c1ccc(cc1)C)[H])[H])(C)[H])=O)(C)(C)C
SPLASH splash10-0a4i-6900000000-d18b5ad93738ebe255b1
Source of Spectrum AJO-6-SM4-3d
Wiley ID 1813043