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1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5-(benzoyloxy)-8-[(benzoyloxy)methyl]-5,8-dihydro-2-phenyl-
SpectraBase Compound ID 2txKeFDnElj
InChI InChI=1S/C27H21N3O6/c31-24(19-10-4-1-5-11-19)35-18-22-16-17-23(36-25(32)20-12-6-2-7-13-20)30-27(34)28(26(33)29(22)30)21-14-8-3-9-15-21/h1-17,22-23H,18H2
InChIKey DLZIMXNSQFNIBT-UHFFFAOYSA-N
Mol Weight 483.48 g/mol
Molecular Formula C27H21N3O6
Exact Mass 483.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QA7Rcojfe2
Name 1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5-(benzoyloxy)-8-[(benzoyloxy)methyl]-5,8-dihydro-2-phenyl-
CAS Registry Number 114133-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N3O6
InChI InChI=1S/C27H21N3O6/c31-24(19-10-4-1-5-11-19)35-18-22-16-17-23(36-25(32)20-12-6-2-7-13-20)30-27(34)28(26(33)29(22)30)21-14-8-3-9-15-21/h1-17,22-23H,18H2
InChIKey DLZIMXNSQFNIBT-UHFFFAOYSA-N
Molecular Weight 483.480 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)C(COC(=O)c1ccccc1)C=CC2OC(=O)c1ccccc1)=O
SPLASH splash10-0a4i-0901000000-00e06d486f4df19346e0
Source of Spectrum J-53-1870-34
Synonyms 2-Phenyl-5-(benzoyloxy)-8-[(benzoyloxy)methyl]-4,5,8,9-tetrahydro-2H-triazolo[1,2-a]pyridazine-1,3-dione 8-[(benzoyloxy)methyl]-1,3-dioxo-2-phenyl-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl benzoate
Wiley ID 1395834