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3-Thujanone

View entire compound with spectra: 23 NMR, 1 FTIR, and 34 MS (GC)

3-Thujanone
SpectraBase Compound ID 4vr9GCFkC41
InChI InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3
InChIKey USMNOWBWPHYOEA-UHFFFAOYSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2MsJ2YlYg
Name .alpha.-Thujone
CAS Registry Number 546-80-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H16O
InChI InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3
InChIKey USMNOWBWPHYOEA-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference J.C. Rees, D. Whittaker, Org. Magn. Resonance 15, 363 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3