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2-Oxecanone, 3-fluoro-5-methyl-, (3R*,5S*)-
SpectraBase Compound ID 6PpgGcgrj06
InChI InChI=1S/C10H17FO2/c1-8-5-3-2-4-6-13-10(12)9(11)7-8/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKey MIDVBSVRETWMCS-DTWKUNHWSA-N
Mol Weight 188.24 g/mol
Molecular Formula C10H17FO2
Exact Mass 188.121258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEBpRpQrRHx
Name 2-Oxecanone, 3-fluoro-5-methyl-, (3R*,5S*)-
Alternate Name(s) (3R,5S)-3-fluoro-5-methyl-2-oxecanone cis-2-fluoro-4-methylnonanolide
CAS Registry Number 128051-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17FO2
InChI InChI=1S/C10H17FO2/c1-8-5-3-2-4-6-13-10(12)9(11)7-8/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKey MIDVBSVRETWMCS-DTWKUNHWSA-N
Molecular Weight 188.242 g/mol
SMILES C1([C@@](C[C@@](C)(CCCCCO1)[H])(F)[H])=O
SPLASH splash10-066u-9100000000-d38bdd9a7d6a42bfae34
Source of Spectrum J-55-4816-0
Wiley ID 1184599