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[(3R,4R)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanol

View entire compound with spectra: 1 MS (GC)

[(3R,4R)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanol
SpectraBase Compound ID Le90uGRzIlj
InChI InChI=1S/C18H21NOS/c1-19-11-14-5-3-4-6-16(14)18(17(19)12-20)13-7-9-15(21-2)10-8-13/h3-10,17-18,20H,11-12H2,1-2H3/t17-,18+/m0/s1
InChIKey USNOOYQDOHVJTL-ZWKOTPCHSA-N
Mol Weight 299.43 g/mol
Molecular Formula C18H21NOS
Exact Mass 299.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Yb38RNPRH6
Name [(3R,4R)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NOS
InChI InChI=1S/C18H21NOS/c1-19-11-14-5-3-4-6-16(14)18(17(19)12-20)13-7-9-15(21-2)10-8-13/h3-10,17-18,20H,11-12H2,1-2H3/t17-,18+/m0/s1
InChIKey USNOOYQDOHVJTL-ZWKOTPCHSA-N
Molecular Weight 299.432 g/mol
SMILES OC[C@]1([C@](c2ccc(cc2)SC)(c2c(CN1C)cccc2)[H])[H]
SPLASH splash10-004i-0910000000-87df88a4721377d063ef
Source of Spectrum KD-15-2503-12
Synonyms [(3R,4R)-2-methyl-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol
Wiley ID 1637152