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2-benzamido-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid
SpectraBase Compound ID GvMUdHOzCVc
InChI InChI=1S/C17H17NO5/c1-23-15-10-11(7-8-14(15)19)9-13(17(21)22)18-16(20)12-5-3-2-4-6-12/h2-8,10,13,19H,9H2,1H3,(H,18,20)(H,21,22)
InChIKey ODTCNJWUFHCFJB-UHFFFAOYSA-N
Mol Weight 315.32 g/mol
Molecular Formula C17H17NO5
Exact Mass 315.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxziSzfR6H8
Name 2-benzamido-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid
Alternate Name(s) 2-benzamido-3-(4-hydroxy-3-methoxy-phenyl)propanoic acid 2-benzamido-3-(4-hydroxy-3-methoxy-phenyl)propionic acid
Comments Less than 3 mono-isotopic peaks
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Formula C17H17NO5
InChI InChI=1S/C17H17NO5/c1-23-15-10-11(7-8-14(15)19)9-13(17(21)22)18-16(20)12-5-3-2-4-6-12/h2-8,10,13,19H,9H2,1H3,(H,18,20)(H,21,22)
InChIKey ODTCNJWUFHCFJB-UHFFFAOYSA-N
Molecular Weight 315.325 g/mol
SMILES Oc1c(cc(CC(C(=O)O)NC(c2ccccc2)=O)cc1)OC
SPLASH splash10-000i-0900000000-3c6d890df6ab1339c2ba
Source of Spectrum SO-0-796-7
Wiley ID 1543562