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

*Links on SpectraBase are not permalinks.
(3E,4S,5R)-3-ethylidene-4-hydroxy-5-undecyl-tetrahydrofuran-2-one
SpectraBase Compound ID KIMhyKYKeOk
InChI InChI=1S/C17H30O3/c1-3-5-6-7-8-9-10-11-12-13-15-16(18)14(4-2)17(19)20-15/h4,15-16,18H,3,5-13H2,1-2H3/b14-4+/t15-,16+/m1/s1
InChIKey AJJKMUIMZOMWBV-DLQHBUTJSA-N
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 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 8un8zduJgI0
Name (3E,4S,5R)-3-ethylidene-4-hydroxy-5-undecyl-tetrahydrofuran-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-3-5-6-7-8-9-10-11-12-13-15-16(18)14(4-2)17(19)20-15/h4,15-16,18H,3,5-13H2,1-2H3/b14-4+/t15-,16+/m1/s1
InChIKey AJJKMUIMZOMWBV-DLQHBUTJSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501491
Molecular Weight 282.424 g/mol
Optical Rotation [a]D20 = +4.9 (c = 1.21, CH2Cl2)
Quality 85
Reported Formula C17H30O3
SMILES O[C@@]1([C@@](CCCCCCCCCCC)(OC(\C1=C/C)=O)[H])[H]
SPLASH splash10-0002-9000000000-d0afc7053ce1264d61ae
Sample Comments Major isomer, dr = 16:1
Source of Spectrum QE-21-SM88-(E)-(S5) (DOI: 10.1002/chem.201501491)
Wiley ID 1906713