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5,7-Octadienal, 3,3,7-trimethyl-4-oxo-, (E)-
SpectraBase Compound ID 2SJAzW0CCiV
InChI InChI=1S/C11H16O2/c1-9(2)5-6-10(13)11(3,4)7-8-12/h5-6,8H,1,7H2,2-4H3/b6-5+
InChIKey VLROLRWDBIPABZ-AATRIKPKSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVlkR9Ec2VH
Name 5,7-Octadienal, 3,3,7-trimethyl-4-oxo-, (E)-
Alternate Name(s) (5E)-3,3,7-trimethyl-4-oxidanylidene-octa-5,7-dienal (5E)-3,3,7-trimethyl-4-oxo-octa-5,7-dienal (5E)-4-keto-3,3,7-trimethyl-octa-5,7-dienal
CAS Registry Number 88354-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-9(2)5-6-10(13)11(3,4)7-8-12/h5-6,8H,1,7H2,2-4H3/b6-5+
InChIKey VLROLRWDBIPABZ-AATRIKPKSA-N
Molecular Weight 180.247 g/mol
SMILES C(\C=C\C(=C)C)(C(CC=O)(C)C)=O
SPLASH splash10-0002-9000000000-fd41d14ecf704129bc7e
Source of Spectrum H-66-1647-0
Wiley ID 1176387