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4-Oxo-.alpha.-damascone
SpectraBase Compound ID KS4LnbBNpXH
InChI InChI=1S/C13H18O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h5-7,12H,8H2,1-4H3/b6-5+
InChIKey QVKVVDLMYFQBCF-AATRIKPKSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpAEORcsb76
Name 4-Oxo-.alpha.-damascone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h5-7,12H,8H2,1-4H3/b6-5+
InChIKey QVKVVDLMYFQBCF-AATRIKPKSA-N
Molecular Weight 206.285 g/mol
SMILES C1(C(C(C)=CCC1=O)C(\C=C\C)=O)(C)C
SPLASH splash10-014i-9100000000-3daa599d09db29ef011e
Source of Spectrum PR-1342-0-0
Synonyms 5-[(2E)-2-butenoyl]-4,6,6-trimethyl-3-cyclohexen-1-one
Wiley ID 1204792