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Benzenepropanoic acid, 4-(1,1-dimethylethyl)-.beta.-[[(phenylmethyl)sulfonyl]amino]-
SpectraBase Compound ID FD7xqbFX2vd
InChI InChI=1S/C20H25NO4S/c1-20(2,3)17-11-9-16(10-12-17)18(13-19(22)23)21-26(24,25)14-15-7-5-4-6-8-15/h4-12,18,21H,13-14H2,1-3H3,(H,22,23)
InChIKey UKXMBPYSLYIHHU-UHFFFAOYSA-N
Mol Weight 375.48 g/mol
Molecular Formula C20H25NO4S
Exact Mass 375.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwFO0ZCIeRw
Name Benzenepropanoic acid, 4-(1,1-dimethylethyl)-.beta.-[[(phenylmethyl)sulfonyl]amino]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO4S
InChI InChI=1S/C20H25NO4S/c1-20(2,3)17-11-9-16(10-12-17)18(13-19(22)23)21-26(24,25)14-15-7-5-4-6-8-15/h4-12,18,21H,13-14H2,1-3H3,(H,22,23)
InChIKey UKXMBPYSLYIHHU-UHFFFAOYSA-N
Molecular Weight 375.483 g/mol
SMILES OC(CC(c1ccc(cc1)C(C)(C)C)NS(=O)(=O)Cc1ccccc1)=O
SPLASH splash10-0006-9530000000-2b50029fb2b015f4e4ba
Synonyms 3-(4-tert-butylphenyl)-3-[(phenylmethyl)sulfonylamino]propanoic acid 3-(benzylsulfonylamino)-3-(4-tert-butylphenyl)propanoic acid 3-(benzylsulfonylamino)-3-(4-tert-butylphenyl)propionic acid
Wiley ID 1448371