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[(-)S]-7-Hydroxy-3,7-dimethyl-oct-5-in-1-al
SpectraBase Compound ID BZ2sZJ4WVBN
InChI InChI=1S/C10H16O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,5-6H2,1-3H3/t9-/m0/s1
InChIKey AJBFEBAMVGOXNH-VIFPVBQESA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46BGqXgFTBt
Name [(-)S]-7-Hydroxy-3,7-dimethyl-oct-5-in-1-al
Alternate Name(s) (S)-7-hydroxy-3,7-dimethyloct-5-ynal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,5-6H2,1-3H3/t9-/m0/s1
InChIKey AJBFEBAMVGOXNH-VIFPVBQESA-N
Literature Reference DOI 10.1002/hlca.19710540707
Molecular Weight 168.236 g/mol
SMILES OC(C)(C)C#CC[C@@](CC=O)(C)[H]
SPLASH splash10-0006-9300000000-5ac98dbb6c1e853b4565
Source of Spectrum H-54-1800-(_)_S_5
Wiley ID 1796955