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3,6-cyclooctadien-1-one
SpectraBase Compound ID 2B2Gw4VQcne
InChI InChI=1S/C8H10O/c9-8-6-4-2-1-3-5-7-8/h2-5H,1,6-7H2/b4-2-,5-3-
InChIKey MNLQAFUNPRPLIW-JVLMNHKTSA-N
Mol Weight 122.17 g/mol
Molecular Formula C8H10O
Exact Mass 122.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FanTNGYme9p
Name 3,6-cyclooctadien-1-one
Alternate Name(s) (3Z,6Z)-1-cycloocta-3,6-dienone
CAS Registry Number 40954-22-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O
InChI InChI=1S/C8H10O/c9-8-6-4-2-1-3-5-7-8/h2-5H,1,6-7H2/b4-2-,5-3-
InChIKey MNLQAFUNPRPLIW-JVLMNHKTSA-N
Molecular Weight 122.167 g/mol
SMILES C1(=O)C\C=C/C\C=C/C1
SPLASH splash10-00or-9100000000-2c4717734e1cd1e106aa
Source of Spectrum K-118-208-42
Wiley ID 1128152