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10-{4-[(4-fluorophenyl)methoxy]phenyl}-5-thia-2,7,13-triazatricyclo[7.4.0.0(2,6)]trideca-1(9),3,6-triene-8,12-dione
SpectraBase Compound ID JxaZs5HW6Fr
InChI InChI=1S/C22H16FN3O3S/c23-15-5-1-13(2-6-15)12-29-16-7-3-14(4-8-16)17-11-18(27)24-20-19(17)21(28)25-22-26(20)9-10-30-22/h1-10,17H,11-12H2,(H,24,27)
InChIKey NJTCJPWCMAMFSC-UHFFFAOYSA-N
Mol Weight 421.45 g/mol
Molecular Formula C22H16FN3O3S
Exact Mass 421.089641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rYbFI8kLBk
Name 10-{4-[(4-fluorophenyl)methoxy]phenyl}-5-thia-2,7,13-triazatricyclo[7.4.0.0(2,6)]trideca-1(9),3,6-triene-8,12-dione
Alternate Name(s) 2H-Pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione, 4-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16FN3O3S
InChI InChI=1S/C22H16FN3O3S/c23-15-5-1-13(2-6-15)12-29-16-7-3-14(4-8-16)17-11-18(27)24-20-19(17)21(28)25-22-26(20)9-10-30-22/h1-10,17H,11-12H2,(H,24,27)
InChIKey NJTCJPWCMAMFSC-UHFFFAOYSA-N
Molecular Weight 421.446 g/mol
SMILES N1C(CC(C2=C1N1C(=NC2=O)SC=C1)c1ccc(cc1)OCc1ccc(cc1)F)=O
SPLASH splash10-0a4i-4901000000-f6c0824a5f556f4d740d
Source of Spectrum IY-2-5079-5
Wiley ID 1658778