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methyl 2-[(4-fluorobenzoyl)amino]-3-[1-(4-fluorophenyl)indol-3-yl]propanoate
SpectraBase Compound ID 3PTWG4WMjAH
InChI InChI=1S/C25H20F2N2O3/c1-32-25(31)22(28-24(30)16-6-8-18(26)9-7-16)14-17-15-29(20-12-10-19(27)11-13-20)23-5-3-2-4-21(17)23/h2-13,15,22H,14H2,1H3,(H,28,30)
InChIKey FWZYZPQNWCDKCA-UHFFFAOYSA-N
Mol Weight 434.44 g/mol
Molecular Formula C25H20F2N2O3
Exact Mass 434.144199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8e5UDG8p0T1
Name methyl 2-[(4-fluorobenzoyl)amino]-3-[1-(4-fluorophenyl)indol-3-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20F2N2O3
InChI InChI=1S/C25H20F2N2O3/c1-32-25(31)22(28-24(30)16-6-8-18(26)9-7-16)14-17-15-29(20-12-10-19(27)11-13-20)23-5-3-2-4-21(17)23/h2-13,15,22H,14H2,1H3,(H,28,30)
InChIKey FWZYZPQNWCDKCA-UHFFFAOYSA-N
Instrument Name VG-Autospec M-250
Ionization Type EI
Literature Reference DOI 10.1002/anie.202205368
Molecular Weight 434.443 g/mol
Quality 177
SMILES N(C(CC=1C2=C(C=CC=C2)N(C1)C1=CC=C(C=C1)F)C(OC)=O)C(C1=CC=C(C=C1)F)=O
SPLASH splash10-00di-1290000000-606d5f146a16c6882219
Source of Spectrum ACI-61-SM47-5a (DOI: 10.1002/anie.202205368)
Wiley ID 1897711