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3-(4-tert-butylphenyl)-3-[2-(4-fluorophenyl)ethanoylamino]propanoic acid
SpectraBase Compound ID 9Lz4za3Gu2m
InChI InChI=1S/C21H24FNO3/c1-21(2,3)16-8-6-15(7-9-16)18(13-20(25)26)23-19(24)12-14-4-10-17(22)11-5-14/h4-11,18H,12-13H2,1-3H3,(H,23,24)(H,25,26)
InChIKey UQPJPMNXHOLSNM-UHFFFAOYSA-N
Mol Weight 357.43 g/mol
Molecular Formula C21H24FNO3
Exact Mass 357.174022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QDeVyf7inj
Name 3-(4-tert-butylphenyl)-3-[2-(4-fluorophenyl)ethanoylamino]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24FNO3
InChI InChI=1S/C21H24FNO3/c1-21(2,3)16-8-6-15(7-9-16)18(13-20(25)26)23-19(24)12-14-4-10-17(22)11-5-14/h4-11,18H,12-13H2,1-3H3,(H,23,24)(H,25,26)
InChIKey UQPJPMNXHOLSNM-UHFFFAOYSA-N
Molecular Weight 357.425 g/mol
SMILES OC(CC(c1ccc(cc1)C(C)(C)C)NC(Cc1ccc(cc1)F)=O)=O
SPLASH splash10-074i-4930000000-86a3a3500ef9cb12c003
Synonyms 3-(4-tert-butylphenyl)-3-[[2-(4-fluorophenyl)-1-oxoethyl]amino]propanoic acid 3-(4-tert-butylphenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoic acid
Wiley ID 1445783