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(7S,8S)-7-tert-butyl-5,5-dimethyl-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

View entire compound with spectra: 1 MS (GC)

(7S,8S)-7-tert-butyl-5,5-dimethyl-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 GkKDkVmiLJ
InChI InChI=1S/C20H27N3O3/c1-13(2)15-16(19(3,4)5)26-20(6,7)23-18(25)21(17(24)22(15)23)14-11-9-8-10-12-14/h8-12,15-16H,1H2,2-7H3/t15-,16+/m0/s1
InChIKey CDPSVOMORCMBOH-JKSUJKDBSA-N
Mol Weight 357.45 g/mol
Molecular Formula C20H27N3O3
Exact Mass 357.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50OxheK8hs
Name (7S,8S)-7-tert-butyl-5,5-dimethyl-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
Alternate Name(s) (7S,8S)-7-tert-butyl-5,5-dimethyl-8-(1-methylethenyl)-2-phenyl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-dione (7S,8S)-7-tert-butyl-8-isopropenyl-5,5-dimethyl-2-phenyl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-dione (7S,8S)-7-tert-butyl-8-isopropenyl-5,5-dimethyl-2-phenyl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-quinone
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Formula C20H27N3O3
InChI InChI=1S/C20H27N3O3/c1-13(2)15-16(19(3,4)5)26-20(6,7)23-18(25)21(17(24)22(15)23)14-11-9-8-10-12-14/h8-12,15-16H,1H2,2-7H3/t15-,16+/m0/s1
InChIKey CDPSVOMORCMBOH-JKSUJKDBSA-N
Molecular Weight 357.454 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)C(O[C@]([C@@]2(C(=C)C)[H])(C(C)(C)C)[H])(C)C)=O
SPLASH splash10-00kf-0890000000-a28e000ffa90b9564f6c
Source of Spectrum J-64-2201-4
Wiley ID 1529699