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3-Bromo-2,2-bis(4-fluorophenyl)-6-({[(9H-fluoren-9-yl)methoxycarbonyl]amino}methyl)-2H-1-benzopyran
SpectraBase Compound ID 4VU3rjTKrvP
InChI InChI=1S/C37H26BrF2NO3/c38-35-20-24-19-23(21-41-36(42)43-22-33-31-7-3-1-5-29(31)30-6-2-4-8-32(30)33)9-18-34(24)44-37(35,25-10-14-27(39)15-11-25)26-12-16-28(40)17-13-26/h1-20,33H,21-22H2,(H,41,42)
InChIKey ZTIHVUXMMNXVLK-UHFFFAOYSA-N
Mol Weight 650.5 g/mol
Molecular Formula C37H26BrF2NO3
Exact Mass 649.106413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10fCsbUtyjs
Name 3-Bromo-2,2-bis(4-fluorophenyl)-6-({[(9H-fluoren-9-yl)methoxycarbonyl]amino}methyl)-2H-1-benzopyran
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H26BrF2NO3
InChI InChI=1S/C37H26BrF2NO3/c38-35-20-24-19-23(21-41-36(42)43-22-33-31-7-3-1-5-29(31)30-6-2-4-8-32(30)33)9-18-34(24)44-37(35,25-10-14-27(39)15-11-25)26-12-16-28(40)17-13-26/h1-20,33H,21-22H2,(H,41,42)
InChIKey ZTIHVUXMMNXVLK-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 SQ
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.5.25
Molecular Weight 650.520 g/mol
Reported Formula C37H26BrF2NO3
SMILES N(Cc1ccc2c(C=C(C(c3ccc(F)cc3)(c3ccc(F)cc3)O2)Br)c1)C(=O)OCC1c2c(-c3c1cccc3)cccc2
SPLASH splash10-00ba-0924010000-1d911f4f62be38f89ddd
Source of Spectrum BJO-5-SM23-2b
Thin-Layer Chromatography Rf = 0.37 (pentane/ethyl acetate, 2:1)
Wiley ID 1871577