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(3a.alpha.,4.beta.,10.beta.,10a.alpha.)-3a,4,10,10a-Tetrahydro-2,2-dimethyl-7-phenyl-4,10-etheno-6H-[1,3]dioxolo[4,5-d]-[1,2,4]-triazolo[1,2-a]pyridazine-6,8(7H)-dione

View entire compound with spectra: 1 MS (GC)

(3a.alpha.,4.beta.,10.beta.,10a.alpha.)-3a,4,10,10a-Tetrahydro-2,2-dimethyl-7-phenyl-4,10-etheno-6H-[1,3]dioxolo[4,5-d]-[1,2,4]-triazolo[1,2-a]pyridazine-6,8(7H)-dione
SpectraBase Compound ID hc1cPhViwy
InChI InChI=1S/C17H17N3O4/c1-17(2)23-13-11-8-9-12(14(13)24-17)20-16(22)18(15(21)19(11)20)10-6-4-3-5-7-10/h3-9,11-14H,1-2H3/t11-,12+,13+,14-
InChIKey VLRWNCUQMGJOFQ-LVEBTZEWSA-N
Mol Weight 327.34 g/mol
Molecular Formula C17H17N3O4
Exact Mass 327.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID w6q0m2qPo
Name (3a.alpha.,4.beta.,10.beta.,10a.alpha.)-3a,4,10,10a-Tetrahydro-2,2-dimethyl-7-phenyl-4,10-etheno-6H-[1,3]dioxolo[4,5-d]-[1,2,4]-triazolo[1,2-a]pyridazine-6,8(7H)-dione
Alternate Name(s) (3aR,4S,10R,10aS)-2,2-dimethyl-7-phenyl-10,10a-dihydro-3aH-4,10-etheno[1,3]dioxolo[4,5-d][1,2,4]triazolo[1,2-a]pyridazine-6,8(4H,7H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3O4
InChI InChI=1S/C17H17N3O4/c1-17(2)23-13-11-8-9-12(14(13)24-17)20-16(22)18(15(21)19(11)20)10-6-4-3-5-7-10/h3-9,11-14H,1-2H3/t11-,12+,13+,14-
InChIKey VLRWNCUQMGJOFQ-LVEBTZEWSA-N
Molecular Weight 327.340 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)[C@]1(C=C[C@]2([H])[C@]2([C@@]1(OC(O2)(C)C)[H])[H])[H])=O
SPLASH splash10-00oy-9250000000-4d3c7a2978647c0b46c9
Source of Spectrum F5-4-3847-43
Wiley ID 1733033