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BETA-DAMASCENON
SpectraBase Compound ID 8ZUWs3ZgYyo
InChI InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
InChIKey POIARNZEYGURDG-FNORWQNLSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eWfw29UeiG
Name (E)-1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-2-BUTEN-1-ONE
Source of Sample R. Hollenstein, W. Von Philipsborn Helv. Chim. Acta 55, 2030(1972)
CAS Registry Number 23726-93-4
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
InChIKey POIARNZEYGURDG-FNORWQNLSA-N
Molecular Weight 190.29
Solvent Chloroform-d; Reference=TMS; Temperature=305 K Spectrometer= Varian XL-100
Synonyms 2-BUTEN-1-ONE, 1-/2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL/-, /E/-, B-DAMASCENON