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2-(2,2-Dimethyl-propionyl)-1-(hydroxy-phenyl-methyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SpectraBase Compound ID FKPobRwlsUB
InChI InChI=1S/C22H25NO4/c1-22(2,3)21(27)23-17(20(25)26)13-15-11-7-8-12-16(15)18(23)19(24)14-9-5-4-6-10-14/h4-12,17-19,24H,13H2,1-3H3,(H,25,26)
InChIKey NYGHWDVXBBSEAI-UHFFFAOYSA-N
Mol Weight 367.45 g/mol
Molecular Formula C22H25NO4
Exact Mass 367.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ViimBdPMiH
Name 2-(2,2-DIMETHYLPROPIONYL)-1-(HYDROXYPHENYLMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H25NO4
InChI InChI=1S/C22H25NO4/c1-22(2,3)21(27)23-17(20(25)26)13-15-11-7-8-12-16(15)18(23)19(24)14-9-5-4-6-10-14/h4-12,17-19,24H,13H2,1-3H3,(H,25,26)
InChIKey NYGHWDVXBBSEAI-UHFFFAOYSA-N
Molecular Weight 367.1777
SMILES OC(C1c2c(CC(C(O)=O)N1C(C(C)(C)C)=O)cccc2)c1ccccc1
SPLASH splash10-004i-4900000000-576f06f414b1b5d8c230
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany