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5-Butyl-6-methyl-1,2,5,6,7,7a-hexahydroinden-4-one isomer

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5-Butyl-6-methyl-1,2,5,6,7,7a-hexahydroinden-4-one isomer
SpectraBase Compound ID Gshte1lMsim
InChI InChI=1S/C14H22O/c1-3-4-7-12-10(2)9-11-6-5-8-13(11)14(12)15/h8,10-12H,3-7,9H2,1-2H3
InChIKey MDIAFJQMDFHRLH-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CIf1OB1KaX
Name trans-5-Butyl-6-methyl-1,2,5,6,7,7a-hexahydro-4H-inden-4-one
CAS Registry Number 88525-26-2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-3-4-7-12-10(2)9-11-6-5-8-13(11)14(12)15/h8,10-12H,3-7,9H2,1-2H3
InChIKey MDIAFJQMDFHRLH-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference B.B. Snider, W.C. Faith, J. Am. Chem. Soc. 106, 1443 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3