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4-METHOXYCARBONYL-2-METHYL-1(2H)-ISOCHINOLINON

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4-METHOXYCARBONYL-2-METHYL-1(2H)-ISOCHINOLINON
SpectraBase Compound ID 2Vpr5oGIKtO
InChI InChI=1S/C12H11NO3/c1-13-7-10(12(15)16-2)8-5-3-4-6-9(8)11(13)14/h3-7H,1-2H3
InChIKey XPYRLFSTILIXAD-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhQfwHTBDvB
Name 4-Methoxycarbonyl-2-methyl-1(2H)-isoquinolinone
CAS Registry Number 37497-85-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-13-7-10(12(15)16-2)8-5-3-4-6-9(8)11(13)14/h3-7H,1-2H3
InChIKey XPYRLFSTILIXAD-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference S.L. Spassov, I.A. Atanassova, Org. Magn. Resonance 22, 194 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3