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5-HYDROXY-2,2,5-TRIMETHYL-6-HEPTEN-3-ONE
SpectraBase Compound ID Jnraa1RAEvj
InChI InChI=1S/C10H18O2/c1-6-10(5,12)7-8(11)9(2,3)4/h6,12H,1,7H2,2-5H3
InChIKey AGUDAYVTGMOGBV-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZt8TW3S09r
Name 3,6,6-Trimethyl-3-hydroxy-hept-1-en-5-one
CAS Registry Number 60676-25-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-6-10(5,12)7-8(11)9(2,3)4/h6,12H,1,7H2,2-5H3
InChIKey AGUDAYVTGMOGBV-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference H.O. House, M.J. Lusch, J. Org. Chem. 42, 183 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3