For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R*,2R*,3S*,1'R*) 2-(1-Hydroxyethyl)-3-butylcyclopropyl-1-phenylKetone
SpectraBase Compound ID 7j0zbrevFvz
InChI InChI=1S/C16H22O2/c1-3-4-10-13-14(11(2)17)15(13)16(18)12-8-6-5-7-9-12/h5-9,11,13-15,17H,3-4,10H2,1-2H3/t11-,13+,14-,15-/m1/s1
InChIKey VEVRNKFHSIBGIO-FAAHXZRKSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FxiJ9S4mmII
Name (1R*,2R*,3S*,1'R*) 2-(1-Hydroxyethyl)-3-butylcyclopropyl-1-phenylKetone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-3-4-10-13-14(11(2)17)15(13)16(18)12-8-6-5-7-9-12/h5-9,11,13-15,17H,3-4,10H2,1-2H3/t11-,13+,14-,15-/m1/s1
InChIKey VEVRNKFHSIBGIO-FAAHXZRKSA-N
Literature Reference DOI 10.1021/jo402075d
Molecular Weight 246.350 g/mol
SMILES O[C@](C)([C@]1([C@](C(=O)c2ccccc2)([C@]1(CCCC)[H])[H])[H])[H]
SPLASH splash10-0pb9-4950000000-3ac4ecaf23133db3d7da
Source of Spectrum J-78-12435-10c
Synonyms ((1R,2S,3R)-2-butyl-3-((R)-1-hydroxyethyl)cyclopropyl)(phenyl)methanone [(1R,2S,3R)-2-butyl-3-[(1R)-1-hydroxyethyl]cyclopropyl]-phenylmethanone [(1R,2S,3R)-2-butyl-3-[(1R)-1-oxidanylethyl]cyclopropyl]-phenyl-methanone
Wiley ID 1747332