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3-Amino-3-(4-tert-butylphenyl)propanoic acid
SpectraBase Compound ID 1Vm7CCjYfKN
InChI InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)11(14)8-12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)
InChIKey QVTSIUCKEVJNGO-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmPMyMVwIni
Name 3-Amino-3-(4-tert-butylphenyl)propanoic acid
CAS Registry Number 282524-82-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)11(14)8-12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)
InChIKey QVTSIUCKEVJNGO-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES OC(CC(c1ccc(C(C)(C)C)cc1)N)=O
SPLASH splash10-03dl-7900000000-cdf8df8021120d67e88c
Source of Spectrum AD-0-2532-0
Synonyms 3-Amino-3-(4-tert-butylphenyl)propionic acid 3-Ammonio-3-(4-tert-butylphenyl)propanoate 3-Ammonio-3-(4-tert-butylphenyl)propionate 3-Azaniumyl-3-(4-tert-butylphenyl)propanoate 3-Azanyl-3-(4-tert-butylphenyl)propanoic acid Propanoic acid, 3-amino-3-(4-tert-butylphenyl)-
Wiley ID 1433432