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6,7-Dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid hydrochloride

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6,7-Dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid hydrochloride
SpectraBase Compound ID CKtwbF2tyC8
InChI InChI=1S/C13H17NO4/c1-14-5-4-8-6-10(17-2)11(18-3)7-9(8)12(14)13(15)16/h6-7,12H,4-5H2,1-3H3,(H,15,16)
InChIKey OGJBXLKGOROCHD-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PEGSXA5hNG
Name 6,7-Dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid hydrochloride
Comments Computed using HOSE algorithm
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Exact Mass 251.115758027 u
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-14-5-4-8-6-10(17-2)11(18-3)7-9(8)12(14)13(15)16/h6-7,12H,4-5H2,1-3H3,(H,15,16)
InChIKey OGJBXLKGOROCHD-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES C=12C(N(C)CCC2=CC(=C(C1)OC)OC)C(=O)O