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2-Butanone, 4-(4,5-dihydro-3,3,7-trimethyl-2(3H)-oxepinylidene)-
SpectraBase Compound ID LZHorw5Hhzp
InChI InChI=1S/C13H20O2/c1-10(14)7-8-12-13(3,4)9-5-6-11(2)15-12/h6,8H,5,7,9H2,1-4H3/b12-8-
InChIKey NFZOPRRLXNQNCU-WQLSENKSSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6U4IMpxSPB2
Name 2-Butanone, 4-(4,5-dihydro-3,3,7-trimethyl-2(3H)-oxepinylidene)-
CAS Registry Number 65868-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10(14)7-8-12-13(3,4)9-5-6-11(2)15-12/h6,8H,5,7,9H2,1-4H3/b12-8-
InChIKey NFZOPRRLXNQNCU-WQLSENKSSA-N
Molecular Weight 208.301 g/mol
SMILES C=1(O\C(C(CCC1)(C)C)=C\CC(=O)C)C
SPLASH splash10-0006-9600000000-2a8d011ec1d14f23b23b
Source of Spectrum H-60-2991-0
Synonyms Oxepin, 2-butanone deriv. (4Z)-4-(3,3,7-trimethyl-4,5-dihydro-2(3H)-oxepinylidene)-2-butanone 4-(3',7',7'-Trimethyl-2'-oxa-3'-cyclohepten-1'-yliden)-2-butanone
Wiley ID 1207125