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6-Octenal, 4,4-diacetyl-2-methyl-, (E)-
SpectraBase Compound ID 7lOTq1vzNdK
InChI InChI=1S/C13H20O3/c1-5-6-7-13(11(3)15,12(4)16)8-10(2)9-14/h5-6,9-10H,7-8H2,1-4H3/b6-5+
InChIKey AEQLHNNZIZLLOX-AATRIKPKSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LikkrCEcWQ
Name 6-Octenal, 4,4-diacetyl-2-methyl-, (E)-
CAS Registry Number 87879-60-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-5-6-7-13(11(3)15,12(4)16)8-10(2)9-14/h5-6,9-10H,7-8H2,1-4H3/b6-5+
InChIKey AEQLHNNZIZLLOX-AATRIKPKSA-N
Molecular Weight 224.300 g/mol
SMILES C(C(=O)C)(C(=O)C)(CC(C=O)C)C\C=C\C
SPLASH splash10-05ai-3900000000-132a81f5dcea8493f9a0
Source of Spectrum KC-1983-1933-0
Synonyms (6E)-4,4-diacetyl-2-methyl-6-octenal 4,4-Diacetyl-2-methyloct-6-en-1-al
Wiley ID 1225203