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(-)-(R)-10-Methyl-6-undecanolide
SpectraBase Compound ID 1XYKWU6Ga6k
InChI InChI=1S/C12H22O2/c1-10(2)6-5-8-11-7-3-4-9-12(13)14-11/h10-11H,3-9H2,1-2H3/t11-/m1/s1
InChIKey UBMFFGFEUOLSRP-LLVKDONJSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZczzi1lQGO
Name (-)-(R)-10-Methyl-6-undecanolide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
GC Oven Program Split/Splitless injector
InChI InChI=1S/C12H22O2/c1-10(2)6-5-8-11-7-3-4-9-12(13)14-11/h10-11H,3-9H2,1-2H3/t11-/m1/s1
InChIKey UBMFFGFEUOLSRP-LLVKDONJSA-N
Instrument Name Hewlett-Packard 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/np030321z
Molecular Weight 198.306 g/mol
Optical Rotation [a]D25 = -1.2 (c = 3.20, diethyl ether)
Reported Formula C12H22O2
SMILES C1(CCCC[C@@](O1)(CCCC(C)C)[H])=O
SPLASH splash10-0a4u-9000000000-e2ba2ab18ecc57a3451f
Sample Comments 93% ee
Source of Spectrum G4-67-400-R-1
Wiley ID 1881680