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rac-(4S,5S)-2,4,5-Trimethylnona-2,6,8-trienal
SpectraBase Compound ID 824aDblNeaE
InChI InChI=1S/C12H18O/c1-5-6-7-11(3)12(4)8-10(2)9-13/h5-9,11-12H,1H2,2-4H3/t11-,12+/m0/s1
InChIKey KEPWJKYJQUVXRB-NWDGAFQWSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAUqQ8Gtx0c
Name rac-(4S,5S)-2,4,5-Trimethylnona-2,6,8-trienal
Alternate Name(s) (4S,5S)-2,4,5-trimethylnona-2,6,8-trienal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-5-6-7-11(3)12(4)8-10(2)9-13/h5-9,11-12H,1H2,2-4H3/t11-,12+/m0/s1
InChIKey KEPWJKYJQUVXRB-NWDGAFQWSA-N
Literature Reference DOI 10.1002/hlca.201700200
Molecular Weight 178.275 g/mol
SMILES C=CC=C[C@@]([C@@](C=C(C=O)C)(C)[H])(C)[H]
SPLASH splash10-001i-9000000000-bc15ea6f344bc968f72e
Source of Spectrum H-100-16-10bp',rac_10bp'
Wiley ID 1813697