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3-(4-tert-butylphenyl)-3-(2-thenoylamino)propionic acid
SpectraBase Compound ID JbNLI3qxJ8N
InChI InChI=1S/C18H21NO3S/c1-18(2,3)13-8-6-12(7-9-13)14(11-16(20)21)19-17(22)15-5-4-10-23-15/h4-10,14H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKey RKQYFXQZQGKKLW-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C18H21NO3S
Exact Mass 331.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFOExgTbUrc
Name 3-(4-tert-butylphenyl)-3-(2-thenoylamino)propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-18(2,3)13-8-6-12(7-9-13)14(11-16(20)21)19-17(22)15-5-4-10-23-15/h4-10,14H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKey RKQYFXQZQGKKLW-UHFFFAOYSA-N
Molecular Weight 331.430 g/mol
SMILES OC(CC(c1ccc(cc1)C(C)(C)C)NC(=O)c1cccs1)=O
SPLASH splash10-03di-7940000000-ec6a49d617fd4ce765e9
Synonyms 3-(4-tert-butylphenyl)-3-(thiophen-2-ylcarbonylamino)propanoic acid 3-(4-tert-butylphenyl)-3-(thiophene-2-carbonylamino)propanoic acid 3-(4-tert-butylphenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid
Wiley ID 1445782