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(1R,3S)-2-Benzyl-7-iodo-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SpectraBase Compound ID 2oXNaxykeYf
InChI InChI=1S/C19H22INO2/c1-12-9-15-10-16(23-3)18(20)19(22)17(15)13(2)21(12)11-14-7-5-4-6-8-14/h4-8,10,12-13,22H,9,11H2,1-3H3/t12-,13+/m0/s1
InChIKey ONFUDIATGKEPCP-QWHCGFSZSA-N
Mol Weight 423.29 g/mol
Molecular Formula C19H22INO2
Exact Mass 423.069524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JH1ICeOjLg1
Name (1R,3S)-2-Benzyl-7-iodo-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Appearance Light brown oil
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Exact Mass 423.069523950 u
Formula C19H22INO2
InChI InChI=1S/C19H22INO2/c1-12-9-15-10-16(23-3)18(20)19(22)17(15)13(2)21(12)11-14-7-5-4-6-8-14/h4-8,10,12-13,22H,9,11H2,1-3H3/t12-,13+/m0/s1
InChIKey ONFUDIATGKEPCP-QWHCGFSZSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600701
Molecular Weight 423.294 g/mol
Optical Rotation [a]D20 = +40.1 (c = 0.30, CH2Cl2)
Quality 137
Reported Formula C19H22INO2
SMILES OC1=C(C(=CC2=C1[C@](N(CC1=CC=CC=C1)[C@](C2)(C)[H])(C)[H])OC)I
SPLASH splash10-0a4m-9730700000-0226116b827703d4687d
Source of Spectrum QE-22-SM11-7b (DOI: 10.1002/chem.201600701)
Wiley ID 1904916