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trans-6-(3-(1H-tetrazol-5-yl)phenyl)-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromene-3-amine
SpectraBase Compound ID 88MFY5S17fz
InChI InChI=1S/C22H16F3N5O/c23-16-10-18(25)17(24)9-15(16)21-19(26)8-14-7-12(4-5-20(14)31-21)11-2-1-3-13(6-11)22-27-29-30-28-22/h1-7,9-10,19,21H,8,26H2,(H,27,28,29,30)/t19-,21+/m0/s1
InChIKey UJAITHIXLYRHQC-PZJWPPBQSA-N
Mol Weight 423.4 g/mol
Molecular Formula C22H16F3N5O
Exact Mass 423.130695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xzkg08irwf
Name trans-6-(3-(1H-tetrazol-5-yl)phenyl)-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromene-3-amine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16F3N5O
InChI InChI=1S/C22H16F3N5O/c23-16-10-18(25)17(24)9-15(16)21-19(26)8-14-7-12(4-5-20(14)31-21)11-2-1-3-13(6-11)22-27-29-30-28-22/h1-7,9-10,19,21H,8,26H2,(H,27,28,29,30)/t19-,21+/m0/s1
InChIKey UJAITHIXLYRHQC-PZJWPPBQSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cjoc.202000342
Molecular Weight 423.399 g/mol
Reported Formula C22H16F3N5O
SMILES [nH]1nnnc1-c1cc(-c2ccc3O[C@@]([C@](Cc3c2)(N)[H])(c2c(cc(c(c2)F)F)F)[H])ccc1
SPLASH splash10-03k9-0961100000-80ff3472b324b2a9ae5d
Source of Spectrum CJC-39-SM67-31g
Wiley ID 1856212