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cis-1-(2-Iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester
SpectraBase Compound ID AtF5J2cdcq0
InChI InChI=1S/C19H20INO4/c1-23-16-9-11-8-15(19(22)25-3)21-18(13(11)10-17(16)24-2)12-6-4-5-7-14(12)20/h4-7,9-10,15,18,21H,8H2,1-3H3/t15-,18-/m1/s1
InChIKey WOXJVZPKZZTICR-CRAIPNDOSA-N
Mol Weight 453.28 g/mol
Molecular Formula C19H20INO4
Exact Mass 453.043703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4otwKHrFsIz
Name cis-1-(2-Iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20INO4
InChI InChI=1S/C19H20INO4/c1-23-16-9-11-8-15(19(22)25-3)21-18(13(11)10-17(16)24-2)12-6-4-5-7-14(12)20/h4-7,9-10,15,18,21H,8H2,1-3H3/t15-,18-/m1/s1
InChIKey WOXJVZPKZZTICR-CRAIPNDOSA-N
Molecular Weight 453.276 g/mol
SMILES N1[C@](Cc2c([C@]1(c1c(I)cccc1)[H])cc(c(c2)OC)OC)(C(=O)OC)[H]
SPLASH splash10-0udi-2896300000-a218625cb848e14d9f6b
Source of Spectrum F-56-6590-7
Synonyms Methyl (1S,3R)-1-(2-iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
Wiley ID 858219