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

*Links on SpectraBase are not permalinks.
(3S,4R)-1-keto-2-phenethyl-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
SpectraBase Compound ID 51OGBbNbRNA
InChI InChI=1S/C24H21NO3/c26-23-20-14-8-7-13-19(20)21(24(27)28)22(18-11-5-2-6-12-18)25(23)16-15-17-9-3-1-4-10-17/h1-14,21-22H,15-16H2,(H,27,28)/t21-,22-/m1/s1
InChIKey LJOROKHWAVUILV-FGZHOGPDSA-N
Mol Weight 371.44 g/mol
Molecular Formula C24H21NO3
Exact Mass 371.152144 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 Mz6uINyyeN
Name (3S,4R)-1-keto-2-phenethyl-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21NO3
InChI InChI=1S/C24H21NO3/c26-23-20-14-8-7-13-19(20)21(24(27)28)22(18-11-5-2-6-12-18)25(23)16-15-17-9-3-1-4-10-17/h1-14,21-22H,15-16H2,(H,27,28)/t21-,22-/m1/s1
InChIKey LJOROKHWAVUILV-FGZHOGPDSA-N
Molecular Weight 371.436 g/mol
SMILES OC([C@]1([C@](N(C(c2ccccc12)=O)CCc1ccccc1)(c1ccccc1)[H])[H])=O
SPLASH splash10-0006-9372000000-5bb1bd0d8d33408a1da8
Source of Spectrum O1-63-2016-3
Synonyms (3S,4R)-1-oxo-3-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinoline-4-carboxylic acid
Wiley ID 1592803