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4-(3-Oxo-1-butenyl)-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one

View entire compound with spectra: 4 NMR, 1 FTIR, and 6 MS (GC)

4-(3-Oxo-1-butenyl)-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID INZCK6NfVkI
InChI InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+
InChIKey JJRYPZMXNLLZFH-AATRIKPKSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuAqE4n9tLS
Name 4-(3-Oxo-1-butenyl)-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
CAS Registry Number 33596-78-0#
Comments REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+
InChIKey JJRYPZMXNLLZFH-AATRIKPKSA-N
Instrument Name Bruker WH-90
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3