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4-Octanone, 5-ethyl-, (S)-
SpectraBase Compound ID A7ubmDqdboq
InChI InChI=1S/C10H20O/c1-4-7-9(6-3)10(11)8-5-2/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKey JFIPVBXBRGWWJJ-VIFPVBQESA-N
Mol Weight 156.27 g/mol
Molecular Formula C10H20O
Exact Mass 156.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wD9fqUngAe
Name 4-Octanone, 5-ethyl-, (S)-
Alternate Name(s) (+)-(S)-5-Ethyl-octane-4-one (5S)-5-ethyl-4-octanone
CAS Registry Number 69943-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O
InChI InChI=1S/C10H20O/c1-4-7-9(6-3)10(11)8-5-2/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKey JFIPVBXBRGWWJJ-VIFPVBQESA-N
Molecular Weight 156.269 g/mol
SMILES C(=O)([C@@](CC)(CCC)[H])CCC
SPLASH splash10-06yc-9100000000-6672a472f0216018cf96
Source of Spectrum F-40-1357-0
Wiley ID 1154055