![Hexamethyl 33,34,35-trioxa-1,12-diazapentacyclo[10.10.10.1(5,8).1(16,19),1(26,29)]pentatriaconta-3,5,7,9,14,16,18,20,24,26,28,30-dodecaene-3,10,14,21,24,31-hexacarboxylate](/api/spectrum/3WOtwzwaM6/structure.png?h=300&w=458 "Hexamethyl 33,34,35-trioxa-1,12-diazapentacyclo[10.10.10.1(5,8).1(16,19),1(26,29)]pentatriaconta-3,5,7,9,14,16,18,20,24,26,28,30-dodecaene-3,10,14,21,24,31-hexacarboxylate")
| SpectraBase Compound ID | I7r9SQy0vfW |
|---|---|
| InChI | InChI=1S/C42H42N2O15/c1-51-37(45)25-13-31-7-8-32(57-31)16-28(40(48)54-4)22-44-23-29(41(49)55-5)17-35-11-9-33(58-35)14-26(38(46)52-2)20-43(19-25)21-27(39(47)53-3)15-34-10-12-36(59-34)18-30(24-44)42(50)56-6/h7-18H,19-24H2,1-6H3/b25-13+,26-14+,27-15+,28-16+,29-17+,30-18+ |
| InChIKey | BWKOFUXZMPMHMY-JATDPLRRSA-N |
| Mol Weight | 814.8 g/mol |
| Molecular Formula | C42H42N2O15 |
| Exact Mass | 814.258519 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3WOtwzwaM6 |
|---|---|
| Name | Hexamethyl 33,34,35-trioxa-1,12-diazapentacyclo[10.10.10.1(5,8).1(16,19),1(26,29)]pentatriaconta-3,5,7,9,14,16,18,20,24,26,28,30-dodecaene-3,10,14,21,24,31-hexacarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H42N2O15 |
| InChI | InChI=1S/C42H42N2O15/c1-51-37(45)25-13-31-7-8-32(57-31)16-28(40(48)54-4)22-44-23-29(41(49)55-5)17-35-11-9-33(58-35)14-26(38(46)52-2)20-43(19-25)21-27(39(47)53-3)15-34-10-12-36(59-34)18-30(24-44)42(50)56-6/h7-18H,19-24H2,1-6H3/b25-13+,26-14+,27-15+,28-16+,29-17+,30-18+ |
| InChIKey | BWKOFUXZMPMHMY-JATDPLRRSA-N |
| Molecular Weight | 814.797 g/mol |
| SMILES | c12\C=C/(CN3C\C(=C/c4oc(\C=C/(CN(C\C(=C/c(o2)cc1)C(=O)OC)C\C(=C/c1oc(\C=C/(C3)C(=O)OC)cc1)C(=O)OC)C(=O)OC)cc4)C(=O)OC)C(=O)OC |
| SPLASH | splash10-0ik9-0092000000-4d97aafda1a50c068dff |
| Source of Spectrum | F-50-7823-5 |
| Wiley ID | 1417365 |