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(4R,9S)-4-Methyldecan-9-olide
SpectraBase Compound ID 4RX8g3RtKL9
InChI InChI=1S/C11H20O2/c1-9-5-3-4-6-10(2)13-11(12)8-7-9/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKey QJFNGLBFJGLGOC-ZJUUUORDSA-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 5c6yaLEyCJA
Name (4R,9S)-4-Methyldecan-9-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-9-5-3-4-6-10(2)13-11(12)8-7-9/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKey QJFNGLBFJGLGOC-ZJUUUORDSA-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]D26.7 = +10.3 (c = 0.74, CH2Cl2)
Reported Formula C11H20O2
SMILES [C@]1(CCC(O[C@](CCCC1)(C)[H])=O)(C)[H]
SPLASH splash10-0bu0-9200000000-5e025407e956d6b59cc9
Source of Spectrum G4-76-1556-(4R,9S-4)
Wiley ID 1865711