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cis-1-Methyl-3-(carboxymethyl-methyl)-isochroman

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cis-1-Methyl-3-(carboxymethyl-methyl)-isochroman
SpectraBase Compound ID 5YutwmxT3Pt
InChI InChI=1S/C13H16O3/c1-9-12-6-4-3-5-10(12)7-11(16-9)8-13(14)15-2/h3-6,9,11H,7-8H2,1-2H3
InChIKey BBRPSBVRUQVIIF-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BW6vlmzI1y2
Name cis-1-Methyl-3-(carboxymethyl-methyl)-isochroman
CAS Registry Number 84800-98-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-9-12-6-4-3-5-10(12)7-11(16-9)8-13(14)15-2/h3-6,9,11H,7-8H2,1-2H3
InChIKey BBRPSBVRUQVIIF-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference M.F. Semmelhack, A. Zask, J. Am. Chem. Soc. 105, 2034 (1983).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3