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2-Acetyl-3,4-dihydro-3,3,4,4-tetramethyl-1-benzoxepin-5(2H)-one

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2-Acetyl-3,4-dihydro-3,3,4,4-tetramethyl-1-benzoxepin-5(2H)-one
SpectraBase Compound ID K3RXiaoC06p
InChI InChI=1S/C16H20O3/c1-10(17)14-16(4,5)15(2,3)13(18)11-8-6-7-9-12(11)19-14/h6-9,14H,1-5H3
InChIKey VDIFKQXWKYZLOB-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4vghQVt3C8
Name 2-Acetyl-3,4-dihydro-3,3,4,4-tetramethyl-1-benzoxepin-5(2H)-one
CAS Registry Number 87510-13-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-10(17)14-16(4,5)15(2,3)13(18)11-8-6-7-9-12(11)19-14/h6-9,14H,1-5H3
InChIKey VDIFKQXWKYZLOB-UHFFFAOYSA-N
Literature Reference J.H. Hill, S.T. Reid, J. Chem. Soc. Chem. Comm. 501 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3