![(7S,8S)-5,5-dimethyl-2,7-diphenyl-8-prop-1-en-2-yl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-dione](/api/spectrum/9F70vBP1JXb/structure.png?h=300&w=458 "(7S,8S)-5,5-dimethyl-2,7-diphenyl-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 | 5vB7qIUb0uK |
|---|---|
| InChI | InChI=1S/C22H23N3O3/c1-15(2)18-19(16-11-7-5-8-12-16)28-22(3,4)25-21(27)23(20(26)24(18)25)17-13-9-6-10-14-17/h5-14,18-19H,1H2,2-4H3/t18-,19-/m0/s1 |
| InChIKey | MORPFDBMHFFBRR-OALUTQOASA-N |
| Mol Weight | 377.44 g/mol |
| Molecular Formula | C22H23N3O3 |
| Exact Mass | 377.173942 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9F70vBP1JXb |
|---|---|
| Name | (7S,8S)-5,5-dimethyl-2,7-diphenyl-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)-5,5-dimethyl-8-(1-methylethenyl)-2,7-diphenyl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-dione (7S,8S)-8-isopropenyl-5,5-dimethyl-2,7-diphenyl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-dione (7S,8S)-8-isopropenyl-5,5-dimethyl-2,7-diphenyl-7,8-dihydro-[1,2,4]triazolo[1,2-c][1,3,4]oxadiazine-1,3-quinone |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H23N3O3 |
| InChI | InChI=1S/C22H23N3O3/c1-15(2)18-19(16-11-7-5-8-12-16)28-22(3,4)25-21(27)23(20(26)24(18)25)17-13-9-6-10-14-17/h5-14,18-19H,1H2,2-4H3/t18-,19-/m0/s1 |
| InChIKey | MORPFDBMHFFBRR-OALUTQOASA-N |
| Molecular Weight | 377.444 g/mol |
| SMILES | C1(N2N(C(N1c1ccccc1)=O)C(O[C@]([C@@]2(C(=C)C)[H])(c1ccccc1)[H])(C)C)=O |
| SPLASH | splash10-014i-0009000000-09689d14ba9f3faa0ff0 |
| Source of Spectrum | J-64-2201-4 |
| Wiley ID | 1529696 |