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1-Benzyl-2-(2,2-dimethyl-propionyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SpectraBase Compound ID 69jN1uDz7B4
InChI InChI=1S/C22H25NO3/c1-22(2,3)21(26)23-18(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)14-19(23)20(24)25/h4-12,18-19H,13-14H2,1-3H3,(H,24,25)
InChIKey CMKGUUIBQJOJPS-UHFFFAOYSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUl4W7pPnDu
Name 1-BENZYL-2-(2,2-DIMETHYLPROPIONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-22(2,3)21(26)23-18(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)14-19(23)20(24)25/h4-12,18-19H,13-14H2,1-3H3,(H,24,25)
InChIKey CMKGUUIBQJOJPS-UHFFFAOYSA-N
Molecular Weight 351.1828
SMILES OC(=O)C1Cc2c(C(Cc3ccccc3)N1C(C(C)(C)C)=O)cccc2
SPLASH splash10-0a7i-9720000000-cb56967b20712ccb445e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany