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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6WiCvgEpxB
Name 2-CYCLOHEXEN-1-ONE, 4-HYDROXY-3,5,5-TRIMETHYL-4-(3-OXO-1-BUTENYL)-
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
Molecular Weight 222.1251
SMILES OC1(\C=C\C(C)=O)C(C)(C)CC(=O)C=C1C
SPLASH splash10-00dl-7900000000-74ff4832bc5e20590a3a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany