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(2R,3S)-2-methyl-3-octyl-1-cyclopentanone
SpectraBase Compound ID 9hwCNLLKx88
InChI InChI=1S/C14H26O/c1-3-4-5-6-7-8-9-13-10-11-14(15)12(13)2/h12-13H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKey HVJQKZZQBUZMNA-OLZOCXBDSA-N
Mol Weight 210.36 g/mol
Molecular Formula C14H26O
Exact Mass 210.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHWlaWOtfAe
Name (2R,3S)-2-methyl-3-octyl-1-cyclopentanone
Alternate Name(s) (2R,3S)-2-methyl-3-octyl-cyclopentan-1-one (2R,3S)-2-methyl-3-octyl-cyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O
InChI InChI=1S/C14H26O/c1-3-4-5-6-7-8-9-13-10-11-14(15)12(13)2/h12-13H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKey HVJQKZZQBUZMNA-OLZOCXBDSA-N
Molecular Weight 210.361 g/mol
SMILES C1([C@@]([C@@](CCCCCCCC)(CC1)[H])(C)[H])=O
SPLASH splash10-03xr-0900000000-bc0585a37785c9e2feba
Source of Spectrum J-57-439-0
Wiley ID 1209898