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2-(6-Methyl-hept-1(E)-en-1-yl)-cyclobutanone
SpectraBase Compound ID HNp92CAdO9l
InChI InChI=1S/C12H20O/c1-10(2)6-4-3-5-7-11-8-9-12(11)13/h5,7,10-11H,3-4,6,8-9H2,1-2H3/b7-5+
InChIKey BAKMOUNCLWIZQG-FNORWQNLSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KCY7GIVkk6
Name 2-(6-Methyl-hept-1(E)-en-1-yl)-cyclobutanone
CAS Registry Number 76042-37-0
Comments REASSIGNED, LINE AT 17.20 PPM MUST BE IN ERROR - ELEMINATED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-10(2)6-4-3-5-7-11-8-9-12(11)13/h5,7,10-11H,3-4,6,8-9H2,1-2H3/b7-5+
InChIKey BAKMOUNCLWIZQG-FNORWQNLSA-N
Instrument Name Jeol FX-60
Literature Reference B.M. Trost, L.N. Jungheim, J. Am. Chem. Soc. 102, 7910 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3