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5H,10H-5a,9a-Epoxy-6,9-methano-1H-[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione, tetrahydro-2-phenyl-, (5a.alpha.,6.alpha.,9.alpha.,9a.alpha.)-
SpectraBase Compound ID KbVDl181iYy
InChI InChI=1S/C17H17N3O3/c21-14-18-9-16-11-6-7-12(8-11)17(16,23-16)10-19(18)15(22)20(14)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2
InChIKey DQKZPSKHGRWZQF-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C17H17N3O3
Exact Mass 311.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fyx3Chr44W6
Name 5H,10H-5a,9a-Epoxy-6,9-methano-1H-[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione, tetrahydro-2-phenyl-, (5a.alpha.,6.alpha.,9.alpha.,9a.alpha.)-
CAS Registry Number 104824-90-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3O3
InChI InChI=1S/C17H17N3O3/c21-14-18-9-16-11-6-7-12(8-11)17(16,23-16)10-19(18)15(22)20(14)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2
InChIKey DQKZPSKHGRWZQF-UHFFFAOYSA-N
Molecular Weight 311.341 g/mol
SMILES C123C(CN4N(C3)C(N(c3ccccc3)C4=O)=O)(C3CC2CC3)O1
SPLASH splash10-03di-0009000000-3ac57938b1e943a999a1
Source of Spectrum H-68-1726-30
Synonyms 2,7-Epoxy-N-phenyl-4,5-diazatricyclo[6.2.1.0(2,7)]undecane-4,5-dicarboximide 5-phenyl-14-oxa-3,5,7-triazapentacyclo[7.4.1.1(10,13).0(1,9).0(3,7)]pentadecane-4,6-dione
Wiley ID 1312418