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(S)-trans 2-(2'-phenylcyclopropyl)-4,4-dimethylpentan-3-one
SpectraBase Compound ID 3OliuIQuehB
InChI InChI=1S/C16H22O/c1-11(15(17)16(2,3)4)13-10-14(13)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3/t11-,13-,14-/m0/s1
InChIKey VXSRPFOBRQAIDS-UBHSHLNASA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hbsqs1cyrso
Name (S)-trans 2-(2'-phenylcyclopropyl)-4,4-dimethylpentan-3-one
Alternate Name(s) (S)-2,2-dimethyl-4-((1R,2R)-2-phenylcyclopropyl)pentan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-11(15(17)16(2,3)4)13-10-14(13)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3/t11-,13-,14-/m0/s1
InChIKey VXSRPFOBRQAIDS-UBHSHLNASA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 230.351 g/mol
SMILES C(C([C@]([C@]1([C@@](C1)(c1ccccc1)[H])[H])(C)[H])=O)(C)(C)C
SPLASH splash10-0aor-9800000000-32288ce163d2dab181d0
Source of Spectrum AJO-6-1772-3a
Wiley ID 1813040