![10aH-Bis[1,2,4]oxadiazolo[4,5-d:5',4'-g][1,4]diazepine, 5,6,11,11a-tetrahydro-10a,11a-dimethyl-3,8-bis(2,4,6-trimethylphenyl)-, trans-](/api/spectrum/KjMyh4MiJMB/structure.png?h=300&w=458 "10aH-Bis[1,2,4]oxadiazolo[4,5-d:5',4'-g][1,4]diazepine, 5,6,11,11a-tetrahydro-10a,11a-dimethyl-3,8-bis(2,4,6-trimethylphenyl)-, trans-")
| SpectraBase Compound ID | 6r8ue3cexSq |
|---|---|
| InChI | InChI=1S/C27H34N4O2/c1-16-11-18(3)22(19(4)12-16)24-28-32-26(7)15-27(8)31(10-9-30(24)26)25(29-33-27)23-20(5)13-17(2)14-21(23)6/h11-14H,9-10,15H2,1-8H3/t26-,27-/m1/s1 |
| InChIKey | JHCJWCJXZQIVGD-KAYWLYCHSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H34N4O2 |
| Exact Mass | 446.268176 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KjMyh4MiJMB |
|---|---|
| Name | 10aH-Bis[1,2,4]oxadiazolo[4,5-d:5',4'-g][1,4]diazepine, 5,6,11,11a-tetrahydro-10a,11a-dimethyl-3,8-bis(2,4,6-trimethylphenyl)-, trans- |
| CAS Registry Number | 127840-00-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H34N4O2 |
| InChI | InChI=1S/C27H34N4O2/c1-16-11-18(3)22(19(4)12-16)24-28-32-26(7)15-27(8)31(10-9-30(24)26)25(29-33-27)23-20(5)13-17(2)14-21(23)6/h11-14H,9-10,15H2,1-8H3/t26-,27-/m1/s1 |
| InChIKey | JHCJWCJXZQIVGD-KAYWLYCHSA-N |
| Molecular Weight | 446.595 g/mol |
| SMILES | C=1(N2[C@](C[C@]3(ON=C(N3CC2)c2c(cc(cc2C)C)C)C)(C)ON1)c1c(cc(cc1C)C)C |
| SPLASH | splash10-004j-0593300000-1e3e38f73933a08533dc |
| Source of Spectrum | Y-26-1621-7 |
| Synonyms | (10aR,11aR)-3,8-dimesityl-10a,11a-dimethyl-5,6,11,11a-tetrahydro-10aH-di[1,2,4]oxadiazolo[4,5-d:5,4-g][1,4]diazepine (trans)-3,8-dimesityl-r-10a,c-11a-dimethyl-6,10a,11,11a-tetrahydro-5H-bis[1,2,4]oxadiazolo[4,5-d:5',4'-g][1,4]diazepine (10aR,11aR)-10a,11a-dimethyl-3,8-bis(2,4,6-trimethylphenyl)-6,11-dihydro-5H-di[1,2,4]oxadiazolo[2,4-c:2',4'-g][1,4]diazepine |
| Wiley ID | 1386732 |