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(S)-trans 3-(2'-phenylcyclopropyl)-5,5-dimethylhexan-4-one
SpectraBase Compound ID FcXptJ4ZXPk
InChI InChI=1S/C17H24O/c1-5-13(16(18)17(2,3)4)15-11-14(15)12-9-7-6-8-10-12/h6-10,13-15H,5,11H2,1-4H3/t13-,14-,15-/m0/s1
InChIKey YKHJYEGYEFQUFV-KKUMJFAQSA-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 8Aav6dMdeZl
Name (S)-trans 3-(2'-phenylcyclopropyl)-5,5-dimethylhexan-4-one
Alternate Name(s) (S)-2,2-dimethyl-4-((1R,2R)-2-phenylcyclopropyl)hexan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O
InChI InChI=1S/C17H24O/c1-5-13(16(18)17(2,3)4)15-11-14(15)12-9-7-6-8-10-12/h6-10,13-15H,5,11H2,1-4H3/t13-,14-,15-/m0/s1
InChIKey YKHJYEGYEFQUFV-KKUMJFAQSA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 244.378 g/mol
SMILES C(C([C@]([C@]1([C@@](C1)(c1ccccc1)[H])[H])(CC)[H])=O)(C)(C)C
SPLASH splash10-0a4i-9400000000-58ff519771c4bad2728b
Source of Spectrum AJO-6-SM5-3i
Wiley ID 1813048