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3-Amino-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid
SpectraBase Compound ID L1NkNcP1lsY
InChI InChI=1S/C12H17NO4/c1-3-17-10-5-4-8(6-11(10)16-2)9(13)7-12(14)15/h4-6,9H,3,7,13H2,1-2H3,(H,14,15)
InChIKey OOKYWAXNZYBZER-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmJkXIyK06Y
Name 3-Amino-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid
CAS Registry Number 54503-18-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-3-17-10-5-4-8(6-11(10)16-2)9(13)7-12(14)15/h4-6,9H,3,7,13H2,1-2H3,(H,14,15)
InChIKey OOKYWAXNZYBZER-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES OC(CC(c1cc(OC)c(cc1)OCC)N)=O
SPLASH splash10-001i-1910000000-322ac70a6708dcf22cdb
Source of Spectrum AD-0-2532-0
Synonyms 3-Amino-3-(4-ethoxy-3-methoxy-phenyl)propionic acid 3-Ammonio-3-(4-ethoxy-3-methoxy-phenyl)propionate 3-Ammonio-3-(4-ethoxy-3-methoxyphenyl)propanoate 3-Azaniumyl-3-(4-ethoxy-3-methoxy-phenyl)propanoate 3-Azanyl-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid Benzenepropanoic acid, .beta.-amino-4-ethoxy-3-methoxy-
Wiley ID 1434091