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cis-2-(2-1H-Benzoimidazolyl)-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

View entire compound with spectra: 1 MS (GC)

cis-2-(2-1H-Benzoimidazolyl)-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
SpectraBase Compound ID 1wwZSthVhv
InChI InChI=1S/C23H17N3O3/c27-21-16-11-5-4-10-15(16)19(22(28)29)20(14-8-2-1-3-9-14)26(21)23-24-17-12-6-7-13-18(17)25-23/h1-13,19-20H,(H,24,25)(H,28,29)/t19-,20-/m1/s1
InChIKey BIFUPPFTDKOIIR-WOJBJXKFSA-N
Mol Weight 383.41 g/mol
Molecular Formula C23H17N3O3
Exact Mass 383.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVkUsvEd3My
Name cis-2-(2-1H-Benzoimidazolyl)-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Alternate Name(s) (3S,4R)-2-(1H-benzimidazol-2-yl)-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N3O3
InChI InChI=1S/C23H17N3O3/c27-21-16-11-5-4-10-15(16)19(22(28)29)20(14-8-2-1-3-9-14)26(21)23-24-17-12-6-7-13-18(17)25-23/h1-13,19-20H,(H,24,25)(H,28,29)/t19-,20-/m1/s1
InChIKey BIFUPPFTDKOIIR-WOJBJXKFSA-N
Molecular Weight 383.407 g/mol
SMILES [nH]1c2ccccc2nc1N1[C@@]([C@](C(=O)O)(c2ccccc2C1=O)[H])(c1ccccc1)[H]
SPLASH splash10-0gdl-9501000000-4427e2619221080c2a05
Source of Spectrum O1-63-2016-3
Wiley ID 1592802