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(3R, 4S)-3-[(3.xi.)-3'-Hydroxybutyl]-4-octylcyclopentanone
SpectraBase Compound ID 55Enk7ZKI0U
InChI InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-15-12-17(19)13-16(15)11-10-14(2)18/h14-16,18H,3-13H2,1-2H3/t14?,15-,16+/m0/s1
InChIKey VJJADRVFJSQTQT-MERJSTESSA-N
Mol Weight 268.4 g/mol
Molecular Formula C17H32O2
Exact Mass 268.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nc0UjTXVsO
Name (3R, 4S)-3-[(3.xi.)-3'-Hydroxybutyl]-4-octylcyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O2
InChI InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-15-12-17(19)13-16(15)11-10-14(2)18/h14-16,18H,3-13H2,1-2H3/t14?,15-,16+/m0/s1
InChIKey VJJADRVFJSQTQT-MERJSTESSA-N
Molecular Weight 268.441 g/mol
SMILES OC(CC[C@@]1(CC(C[C@@]1(CCCCCCCC)[H])=O)[H])C
SPLASH splash10-0uy0-0490000000-f81d64ce82daaf568467
Source of Spectrum E1-34-554-7
Synonyms (3R,4S)-3-(3-Hydroxy-butyl)-4-octyl-cyclopentanone
Wiley ID 1710383