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3-Amino-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]propionic acid
SpectraBase Compound ID 2mjUaS6UUp3
InChI InChI=1S/C12H16N2O5/c1-18-10-4-7(8(13)5-12(16)17)2-3-9(10)19-6-11(14)15/h2-4,8H,5-6,13H2,1H3,(H2,14,15)(H,16,17)
InChIKey IXNFIEZDVQLKFQ-UHFFFAOYSA-N
Mol Weight 268.27 g/mol
Molecular Formula C12H16N2O5
Exact Mass 268.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52XbsKsmA9d
Name 3-Amino-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O5
InChI InChI=1S/C12H16N2O5/c1-18-10-4-7(8(13)5-12(16)17)2-3-9(10)19-6-11(14)15/h2-4,8H,5-6,13H2,1H3,(H2,14,15)(H,16,17)
InChIKey IXNFIEZDVQLKFQ-UHFFFAOYSA-N
Molecular Weight 268.269 g/mol
SMILES NC(COc1ccc(C(CC(O)=O)N)cc1OC)=O
SPLASH splash10-0zfr-6920000000-aee174172362d9943f93
Synonyms 3-Amino-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]propanoic acid 3-Azaniumyl-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]propanoate 3-Azanyl-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]propanoic acid 3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-3-ammonio-propionate 3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-3-azaniumyl-propanoate 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-ammoniopropanoate
Wiley ID 1442692