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(3S,4R)-1-keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid
SpectraBase Compound ID BRUk9qHIE8v
InChI InChI=1S/C18H17NO4/c1-19-16(11-7-9-12(23-2)10-8-11)15(18(21)22)13-5-3-4-6-14(13)17(19)20/h3-10,15-16H,1-2H3,(H,21,22)/t15-,16-/m1/s1
InChIKey BXYDRXXLNSREMP-HZPDHXFCSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fMpbW6dk2k
Name (3S,4R)-1-keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid
CAS Registry Number 106711-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-19-16(11-7-9-12(23-2)10-8-11)15(18(21)22)13-5-3-4-6-14(13)17(19)20/h3-10,15-16H,1-2H3,(H,21,22)/t15-,16-/m1/s1
InChIKey BXYDRXXLNSREMP-HZPDHXFCSA-N
Molecular Weight 311.337 g/mol
SMILES OC([C@]1([C@](N(C(c2ccccc12)=O)C)(c1ccc(cc1)OC)[H])[H])=O
SPLASH splash10-0uea-0900000000-506fbb00c6f0998d4d01
Source of Spectrum J-52-913-0
Synonyms (3S,4R)-3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid (3S,4R)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Wiley ID 1312483