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1H-Indole-3-butanoic acid, 5-fluoro-2-(2-pyridinyl)-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-Indole-3-butanoic acid, 5-fluoro-2-(2-pyridinyl)-, methyl ester
SpectraBase Compound ID ApLVB30O4Ng
InChI InChI=1S/C18H17FN2O2/c1-23-17(22)7-4-5-13-14-11-12(19)8-9-15(14)21-18(13)16-6-2-3-10-20-16/h2-3,6,8-11,21H,4-5,7H2,1H3
InChIKey MLEZEIRJLHGUIA-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C18H17FN2O2
Exact Mass 312.127406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ziikDYACVz
Name 1H-Indole-3-butanoic acid, 5-fluoro-2-(2-pyridinyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 312.127405956 u
Formula C18H17FN2O2
InChI InChI=1S/C18H17FN2O2/c1-23-17(22)7-4-5-13-14-11-12(19)8-9-15(14)21-18(13)16-6-2-3-10-20-16/h2-3,6,8-11,21H,4-5,7H2,1H3
InChIKey MLEZEIRJLHGUIA-UHFFFAOYSA-N
Molecular Weight 312.344 g/mol
SMILES C1(=CC=C2C(=C1)C(=C(N2)C=1C=CC=CN1)CCCC(=O)OC)F