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(S)-trans 2-(2'-(4-methoxyphenyl)cyclopropyl)-4,4-dimethylpentan-3-one
SpectraBase Compound ID 2kMqNtkWd
InChI InChI=1S/C17H24O2/c1-11(16(18)17(2,3)4)14-10-15(14)12-6-8-13(19-5)9-7-12/h6-9,11,14-15H,10H2,1-5H3/t11-,14-,15-/m0/s1
InChIKey YSOZBNLMRQPORT-CQDKDKBSSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MzbnAFuHAm
Name (S)-trans 2-(2'-(4-methoxyphenyl)cyclopropyl)-4,4-dimethylpentan-3-one
Alternate Name(s) (S)-4-((1R,2R)-2-(4-methoxyphenyl)cyclopropyl)-2,2-dimethylpentan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-11(16(18)17(2,3)4)14-10-15(14)12-6-8-13(19-5)9-7-12/h6-9,11,14-15H,10H2,1-5H3/t11-,14-,15-/m0/s1
InChIKey YSOZBNLMRQPORT-CQDKDKBSSA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 260.377 g/mol
SMILES C(C([C@]([C@]1([C@@](C1)(c1ccc(cc1)OC)[H])[H])(C)[H])=O)(C)(C)C
SPLASH splash10-0a7j-3900000000-9d390f7786f1d12108cb
Source of Spectrum AJO-6-SM4-3f
Wiley ID 1813045