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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 2PM7U0vxZ8r
Name 2-(2,2-Dimethyl-propionyl)-1-(hydroxy-phenyl-methyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CAS Registry Number 116174-77-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 367.445 g/mol
SMILES OC(C1Cc2ccccc2C(C(c2ccccc2)O)N1C(=O)C(C)(C)C)=O
SPLASH splash10-004i-4900000000-576f06f414b1b5d8c230
Synonyms 1-[hydroxy(phenyl)methyl]-2-pivaloyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 2-(2,2-dimethyl-1-oxopropyl)-1-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 2-(2,2-Dimethylpropanoyl)-1-[hydroxy(phenyl)methyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid 2-(2,2-dimethylpropanoyl)-1-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 2-(2,2-dimethylpropanoyl)-1-[oxidanyl(phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Wiley ID 1481927