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5-Octen-2-one, 5-methyl-

View entire compound with spectra: 2 MS (GC)

5-Octen-2-one, 5-methyl-
SpectraBase Compound ID 1IF4ptVlgZ6
InChI InChI=1S/C9H16O/c1-4-5-8(2)6-7-9(3)10/h5H,4,6-7H2,1-3H3/b8-5+
InChIKey USHROFLPCVCEKL-VMPITWQZSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7X945itTjOe
Name 5-Octen-2-one, 5-methyl-
CAS Registry Number 121986-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-4-5-8(2)6-7-9(3)10/h5H,4,6-7H2,1-3H3/b8-5+
InChIKey USHROFLPCVCEKL-VMPITWQZSA-N
Molecular Weight 140.226 g/mol
SMILES C\C(CCC(C)=O)=C/CC
SPLASH splash10-0006-9000000000-4ba3f6902ee69d02ba16
Synonyms (5E)-5-Methyl-5-octen-2-one (E)-5-methyl-5-octen-2-one (E)-5-methyloct-5-en-2-one
Wiley ID 1491835