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1,2,3,4-Tetrahydro-2-methyl-4,6,7-isochinolintriol
SpectraBase Compound ID 3TJE8u03zi2
InChI InChI=1S/C10H13NO3/c1-11-4-6-2-8(12)9(13)3-7(6)10(14)5-11/h2-3,10,12-14H,4-5H2,1H3
InChIKey PIJDIPDQQMXWEM-UHFFFAOYSA-N
Mol Weight 195.22 g/mol
Molecular Formula C10H13NO3
Exact Mass 195.089543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uJKr0mHGhC
Name 1,2,3,4-TETRAHYDRO-2-METHYL-4,6,7-ISOCHINOLINTRIOL
CAS Registry Number 79254-31-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13NO3
InChI InChI=1S/C10H13NO3/c1-11-4-6-2-8(12)9(13)3-7(6)10(14)5-11/h2-3,10,12-14H,4-5H2,1H3
InChIKey PIJDIPDQQMXWEM-UHFFFAOYSA-N
Literature Reference Author H.A.BATES
Literature Reference Citation J.ORG.CHEM.,46,4931(1981)
Literature Reference DOI 10.1021/jo00337a022
Molecular Weight 195.218 g/mol
Solvent H2O:D2O
Source File Reference UNIW17426