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13-(4-bromophenyl)-2-phenyl-5,9,11,13-tetrahydro-5,9a-[2,3]epoxirenofuro[3,4-c][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H,7H)-dione

View entire compound with spectra: 1 MS (GC)

13-(4-bromophenyl)-2-phenyl-5,9,11,13-tetrahydro-5,9a-[2,3]epoxirenofuro[3,4-c][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H,7H)-dione
SpectraBase Compound ID IjXpgGJMmYZ
InChI InChI=1S/C22H16BrN3O4/c23-15-8-6-13(7-9-15)22-17-10-14-11-29-12-21(14,18(22)30-22)26-20(28)24(19(27)25(17)26)16-4-2-1-3-5-16/h1-10,17-18H,11-12H2/t17-,18?,21+,22?/m0/s1
InChIKey QTHGJMNKYPAMDC-GJMRFNKVSA-N
Mol Weight 466.29 g/mol
Molecular Formula C22H16BrN3O4
Exact Mass 465.032419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1w4m5ZfjRvl
Name 13-(4-bromophenyl)-2-phenyl-5,9,11,13-tetrahydro-5,9a-[2,3]epoxirenofuro[3,4-c][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H,7H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16BrN3O4
InChI InChI=1S/C22H16BrN3O4/c23-15-8-6-13(7-9-15)22-17-10-14-11-29-12-21(14,18(22)30-22)26-20(28)24(19(27)25(17)26)16-4-2-1-3-5-16/h1-10,17-18H,11-12H2/t17-,18?,21+,22?/m0/s1
InChIKey QTHGJMNKYPAMDC-GJMRFNKVSA-N
Literature Reference DOI 10.1002/adsc.200600653
Molecular Weight 466.291 g/mol
SMILES [C@@]12(N3N(C(N(C3=O)c3ccccc3)=O)[C@]3(C(COC3)=C1)C1C2(c2ccc(cc2)Br)O1)[H]
SPLASH splash10-029x-0980000000-16cf5b8913f8046b499d
Source of Spectrum ASC-349-1749-26
Wiley ID 1765352