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(3S,3S)-3-(3,7-Dimethyloctyl)heptane-2,6-dione
SpectraBase Compound ID GIR2rhqGY74
InChI InChI=1S/C17H32O2/c1-13(2)7-6-8-14(3)9-11-17(16(5)19)12-10-15(4)18/h13-14,17H,6-12H2,1-5H3/t14-,17-/m0/s1
InChIKey CETWOKCMJKICAJ-YOEHRIQHSA-N
Mol Weight 268.4 g/mol
Molecular Formula C17H32O2
Exact Mass 268.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OzuQJgiO7X
Name (3S,3S)-3-(3,7-Dimethyloctyl)heptane-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O2
InChI InChI=1S/C17H32O2/c1-13(2)7-6-8-14(3)9-11-17(16(5)19)12-10-15(4)18/h13-14,17H,6-12H2,1-5H3/t14-,17-/m0/s1
InChIKey CETWOKCMJKICAJ-YOEHRIQHSA-N
Instrument Name HP 6890-5973 or Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900224
Molecular Weight 268.441 g/mol
SMILES CC(CCC[C@@](CC[C@](C(C)=O)(CCC(C)=O)[H])(C)[H])C
SPLASH splash10-002f-9400000000-bcd8263bd62bc66dac3a
Source of Spectrum U1-2019-SM39-3c
Wiley ID 1848597