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(S)-trans 3-(2'-(naphthalen-2-yl)cyclopropyl)-5,5-dimethylhexan-4-one
SpectraBase Compound ID CxZ17bVLDWD
InChI InChI=1S/C21H26O/c1-5-17(20(22)21(2,3)4)19-13-18(19)16-11-10-14-8-6-7-9-15(14)12-16/h6-12,17-19H,5,13H2,1-4H3/t17-,18-,19-/m0/s1
InChIKey OHKCSYVMTKLUAD-FHWLQOOXSA-N
Mol Weight 294.44 g/mol
Molecular Formula C21H26O
Exact Mass 294.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fr9DDvHGvRV
Name (S)-trans 3-(2'-(naphthalen-2-yl)cyclopropyl)-5,5-dimethylhexan-4-one
Alternate Name(s) (S)-2,2-dimethyl-4-((1R,2R)-2-(naphthalen-2-yl)cyclopropyl)hexan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O
InChI InChI=1S/C21H26O/c1-5-17(20(22)21(2,3)4)19-13-18(19)16-11-10-14-8-6-7-9-15(14)12-16/h6-12,17-19H,5,13H2,1-4H3/t17-,18-,19-/m0/s1
InChIKey OHKCSYVMTKLUAD-FHWLQOOXSA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 294.438 g/mol
SMILES C(C([C@]([C@]1([C@@](C1)(c1cc2c(cc1)cccc2)[H])[H])(CC)[H])=O)(C)(C)C
SPLASH splash10-0a4i-9500000000-e5a4aff1f00b51b0847b
Source of Spectrum AJO-6-SM5-3j
Wiley ID 1813049