For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(3S,4R)-2-benzyl-3-(4-chlorophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(3S,4R)-2-benzyl-3-(4-chlorophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid
SpectraBase Compound ID JYEFaF0xKOj
InChI InChI=1S/C23H18ClNO3/c24-17-12-10-16(11-13-17)21-20(23(27)28)18-8-4-5-9-19(18)22(26)25(21)14-15-6-2-1-3-7-15/h1-13,20-21H,14H2,(H,27,28)/t20-,21-/m1/s1
InChIKey NJPTXHJTMFUQBE-NHCUHLMSSA-N
Mol Weight 391.85 g/mol
Molecular Formula C23H18ClNO3
Exact Mass 391.097521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6W6FS9jwho0
Name (3S,4R)-2-benzyl-3-(4-chlorophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid
Alternate Name(s) (3S,4R)-2-benzyl-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid (3S,4R)-3-(4-chlorophenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid (3S,4R)-3-(4-chlorophenyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18ClNO3
InChI InChI=1S/C23H18ClNO3/c24-17-12-10-16(11-13-17)21-20(23(27)28)18-8-4-5-9-19(18)22(26)25(21)14-15-6-2-1-3-7-15/h1-13,20-21H,14H2,(H,27,28)/t20-,21-/m1/s1
InChIKey NJPTXHJTMFUQBE-NHCUHLMSSA-N
Molecular Weight 391.854 g/mol
SMILES OC([C@]1([C@](N(C(c2ccccc12)=O)Cc1ccccc1)(c1ccc(cc1)Cl)[H])[H])=O
SPLASH splash10-05mo-9532000000-b62f528354d6b9025cb6
Source of Spectrum O1-63-2015-3
Wiley ID 1592804