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(7S,8R)-5,5,7-trimethyl-2-phenyl-8-prop-1-en-2-yl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-dione
SpectraBase Compound ID JTOh4wvbXxJ
InChI InChI=1S/C17H21N3O3/c1-11(2)14-12(3)23-17(4,5)20-16(22)18(15(21)19(14)20)13-9-7-6-8-10-13/h6-10,12,14H,1H2,2-5H3/t12-,14+/m0/s1
InChIKey LFWJDNLHXOJVNG-GXTWGEPZSA-N
Mol Weight 315.37 g/mol
Molecular Formula C17H21N3O3
Exact Mass 315.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QevdKHOcCr
Name (7S,8R)-5,5,7-trimethyl-2-phenyl-8-prop-1-en-2-yl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C17H21N3O3
InChI InChI=1S/C17H21N3O3/c1-11(2)14-12(3)23-17(4,5)20-16(22)18(15(21)19(14)20)13-9-7-6-8-10-13/h6-10,12,14H,1H2,2-5H3/t12-,14+/m0/s1
InChIKey LFWJDNLHXOJVNG-GXTWGEPZSA-N
Molecular Weight 315.373 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)C(O[C@]([C@]2(C(=C)C)[H])(C)[H])(C)C)=O
SPLASH splash10-014i-0901000000-4c8c2607f0ceb54e5490
Source of Spectrum J-64-2201-5
Synonyms (7S,8R)-5,5,7-trimethyl-8-(1-methylethenyl)-2-phenyl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-dione (7S,8R)-8-isopropenyl-5,5,7-trimethyl-2-phenyl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-dione (7S,8R)-8-isopropenyl-5,5,7-trimethyl-2-phenyl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-quinone
Wiley ID 1529693