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5-Fluoro-ABICA-M/artifact (ME)

View entire compound with spectra: 3 MS (GC)

5-Fluoro-ABICA-M/artifact (ME)
SpectraBase Compound ID BCFyD19JAFq
InChI InChI=1S/C20H27FN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)
InChIKey JFXASAFVUQVGEW-UHFFFAOYSA-N
Mol Weight 362.45 g/mol
Molecular Formula C20H27FN2O3
Exact Mass 362.200571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eelMTnWZ55
Name Methyl 2-{[1-(5-Fluoropentyl)-1H-indol-3-ylcarbonyl]amino}-3-methyl-butyrate
Alternate Name(s) Methyl 2-{[1-(5-Fluoropentyl)-3-methyl-1H-indol-3-ylcarbonyl]amino}butyrate Methyl 2-(1-(5-fluoropentyl)-1H-indole-3-carboxamido)-3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27FN2O3
InChI InChI=1S/C20H27FN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)
InChIKey JFXASAFVUQVGEW-UHFFFAOYSA-N
Molecular Weight 362.445 g/mol
SMILES N(C(c1c[n](CCCCCF)c2c1cccc2)=O)C(C(=O)OC)C(C)C
SPLASH splash10-001i-0390000000-4cf52130db77ac1262ac
Source of Spectrum HC-50-585-1
Wiley ID 1739727