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3-(4-Chlorophenyl)-4,6-dimethoxy-7-trifluoroacetylindole
SpectraBase Compound ID 4TXJjMiAaAq
InChI InChI=1S/C18H13ClF3NO3/c1-25-12-7-13(26-2)15(17(24)18(20,21)22)16-14(12)11(8-23-16)9-3-5-10(19)6-4-9/h3-8,23H,1-2H3
InChIKey PPTWPIWLENSZDF-UHFFFAOYSA-N
Mol Weight 383.75 g/mol
Molecular Formula C18H13ClF3NO3
Exact Mass 383.053605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lF81qC3BA
Name 3-(4-Chlorophenyl)-4,6-dimethoxy-7-trifluoroacetylindole
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.053605469 u
Formula C18H13ClF3NO3
InChI InChI=1S/C18H13ClF3NO3/c1-25-12-7-13(26-2)15(17(24)18(20,21)22)16-14(12)11(8-23-16)9-3-5-10(19)6-4-9/h3-8,23H,1-2H3
InChIKey PPTWPIWLENSZDF-UHFFFAOYSA-N
Instrument Name VG Quattro
Ionization Type EI positive ion
Literature Reference DOI 10.24820/ark.5550190.p011.637
Molecular Weight 383.754 g/mol
SMILES N1C=C(C=2C(=CC(=C(C12)C(C(F)(F)F)=O)OC)OC)C=1C=CC(Cl)=CC1
SPLASH splash10-01q9-0009000000-b5c52c520cc59ad2f46d
Source of Spectrum ARK-2022-15-3 (DOI: 10.24820/ark.5550190.p011.637)
Wiley ID 1898085