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(3R,4R)-3-Hydroxymethyl-4-(4-methylthiophenyl)-3,4-dihydtoisoquinoline
SpectraBase Compound ID 6U0AXWOL1tT
InChI InChI=1S/C17H17NOS/c1-20-14-8-6-12(7-9-14)17-15-5-3-2-4-13(15)10-18-16(17)11-19/h2-10,16-17,19H,11H2,1H3/t16-,17+/m0/s1
InChIKey AJERXDQFPQKTKM-DLBZAZTESA-N
Mol Weight 283.39 g/mol
Molecular Formula C17H17NOS
Exact Mass 283.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnkDyuGELXc
Name (3R,4R)-3-Hydroxymethyl-4-(4-methylthiophenyl)-3,4-dihydtoisoquinoline
Alternate Name(s) [(3R,4R)-4-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-3-yl]methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NOS
InChI InChI=1S/C17H17NOS/c1-20-14-8-6-12(7-9-14)17-15-5-3-2-4-13(15)10-18-16(17)11-19/h2-10,16-17,19H,11H2,1H3/t16-,17+/m0/s1
InChIKey AJERXDQFPQKTKM-DLBZAZTESA-N
Molecular Weight 283.389 g/mol
SMILES OC[C@]1([C@@](c2ccccc2C=N1)(c1ccc(cc1)SC)[H])[H]
SPLASH splash10-00o0-0390000000-d9db1d6a8d29d58f0d0e
Source of Spectrum KD-15-2504-17
Wiley ID 1637144