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2-(benzylamino)-3-(4-hydroxyphenyl)propanoic acid
SpectraBase Compound ID JFgGAr8BIZs
InChI InChI=1S/C16H17NO3/c18-14-8-6-12(7-9-14)10-15(16(19)20)17-11-13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2,(H,19,20)
InChIKey WUTPXBXSEMJIDW-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3EFWpvpma4
Name 2-(benzylamino)-3-(4-hydroxyphenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c18-14-8-6-12(7-9-14)10-15(16(19)20)17-11-13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2,(H,19,20)
InChIKey WUTPXBXSEMJIDW-UHFFFAOYSA-N
Molecular Weight 271.316 g/mol
SMILES Oc1ccc(CC(C(=O)O)NCc2ccccc2)cc1
SPLASH splash10-0006-9600000000-7f5d79e4a40a21d01ba6
Source of Spectrum I-80-782-6
Synonyms 2-(benzylamino)-3-(4-hydroxyphenyl)propionic acid 3-(4-hydroxyphenyl)-2-[(phenylmethyl)amino]propanoic acid
Wiley ID 1517211