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3-(Benzoylamino)-2-[hydroxy(phenyl)methyl]butanoic acid
SpectraBase Compound ID 7ivtrZ6Xp63
InChI InChI=1S/C18H19NO4/c1-12(19-17(21)14-10-6-3-7-11-14)15(18(22)23)16(20)13-8-4-2-5-9-13/h2-12,15-16,20H,1H3,(H,19,21)(H,22,23)
InChIKey PCKIPHFUIYVMAW-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pVoUZrsEDx
Name 3-(Benzoylamino)-2-[hydroxy(phenyl)methyl]butanoic acid
Alternate Name(s) 3-Benzamido-2-[hydroxy(phenyl)methyl]butanoic acid 3-Benzamido-2-[hydroxy(phenyl)methyl]butyric acid 3-Benzamido-2-[oxidanyl(phenyl)methyl]butanoic acid
CAS Registry Number 121006-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-12(19-17(21)14-10-6-3-7-11-14)15(18(22)23)16(20)13-8-4-2-5-9-13/h2-12,15-16,20H,1H3,(H,19,21)(H,22,23)
InChIKey PCKIPHFUIYVMAW-UHFFFAOYSA-N
Molecular Weight 313.353 g/mol
SMILES N(C(c1ccccc1)=O)C(C(C(O)c1ccccc1)C(=O)O)C
SPLASH splash10-0a4i-4900000000-14cc553fef98eb8c052f
Source of Spectrum H-71-1837-29
Wiley ID 1314308