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(8S,9RS)-8-Methyl-9-decanolide
SpectraBase Compound ID 9n4F20ViRPu
InChI InChI=1S/C11H20O2/c1-9-7-5-3-4-6-8-11(12)13-10(9)2/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKey UNTWVLJHMQEBGY-RGURZIINSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuzgFOegIRS
Name (8S,9RS)-8-Methyl-9-decanolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-9-7-5-3-4-6-8-11(12)13-10(9)2/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKey UNTWVLJHMQEBGY-RGURZIINSA-N
Instrument Name HP 6890 GC-5973 MSD/Agilent Technologies GC 7890A-5975C MSD
Ionization Type EI
Literature Reference DOI 10.1021/np400131q
Molecular Weight 184.279 g/mol
Optical Rotation [a]D21.5 = -8.3 (c = 0.7, CHCl3)
Reported Formula C11H20O2
SMILES C1CCC(OC(C)[C@@](C)(CCC1)[H])=O
SPLASH splash10-052g-9000000000-c9abdf5f067e6ee42789
Source of Spectrum G4-76-1556-6
Wiley ID 1865718