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2-Hydroxy-2-[3-[2-[(phenylmethyl)amino]ethyl]-1H-indol-2-yl]propanoic acid methyl ester
SpectraBase Compound ID HIMT33cxOf6
InChI InChI=1S/C21H24N2O3/c1-21(25,20(24)26-2)19-17(16-10-6-7-11-18(16)23-19)12-13-22-14-15-8-4-3-5-9-15/h3-11,22-23,25H,12-14H2,1-2H3
InChIKey SSQXCROPFUMDEN-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73MpZzluFFA
Name 2-Hydroxy-2-[3-[2-[(phenylmethyl)amino]ethyl]-1H-indol-2-yl]propanoic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.178692638 u
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-21(25,20(24)26-2)19-17(16-10-6-7-11-18(16)23-19)12-13-22-14-15-8-4-3-5-9-15/h3-11,22-23,25H,12-14H2,1-2H3
InChIKey SSQXCROPFUMDEN-UHFFFAOYSA-N
Molecular Weight 352.434 g/mol
SMILES C=1(C(C(=O)OC)(O)C)NC2=CC=CC=C2C1CCNCC=1C=CC=CC1