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(-)-(6R,10S)-10-Methyl-6-dodecanolide
SpectraBase Compound ID DCDEw81Vepg
InChI InChI=1S/C13H24O2/c1-3-11(2)7-6-9-12-8-4-5-10-13(14)15-12/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKey FWCJVEHVQQNKBH-NWDGAFQWSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4y3TRUEAQTY
Name (-)-(6R,10S)-10-Methyl-6-dodecanolide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O2
GC Oven Program Split/Splitless injector
InChI InChI=1S/C13H24O2/c1-3-11(2)7-6-9-12-8-4-5-10-13(14)15-12/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKey FWCJVEHVQQNKBH-NWDGAFQWSA-N
Instrument Name Hewlett-Packard 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/np030321z
Molecular Weight 212.333 g/mol
Optical Rotation [a]D25 = -20.1 (c = 2.01, diethyl ether)
Reported Formula C13H24O2
SMILES C1(CCCC[C@@](O1)(CCC[C@](CC)(C)[H])[H])=O
SPLASH splash10-0a4r-9000000000-a263005eff5b7fee720e
Sample Comments > 94% ee, dr = 94:6
Source of Spectrum G4-67-400-6R,10S-2
Wiley ID 1881678