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2,3,3a,4,5,6-Hexahydro-4-methyl-azulen-8(7H)-one
SpectraBase Compound ID DE6Jizt1s7p
InChI InChI=1S/C11H16O/c1-8-4-2-7-11(12)10-6-3-5-9(8)10/h6,8-9H,2-5,7H2,1H3
InChIKey SZKUTNJNQVPZTN-UHFFFAOYSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpeYB1VEC3P
Name 2,3,3a,4,5,6-Hexahydro-4-methyl-azulen-8(7H)-one
CAS Registry Number 83096-78-0
Comments MAJOR ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c1-8-4-2-7-11(12)10-6-3-5-9(8)10/h6,8-9H,2-5,7H2,1H3
InChIKey SZKUTNJNQVPZTN-UHFFFAOYSA-N
Instrument Name Nicolet TT-23
Literature Reference C.H. Heathcock, C.M. Tice, T.C. Germroth, J. Am. Chem. Soc. 104, 6081 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3