![Hexamethyl 7-chloro-34-methoxy-1,13-diazapentacyclo[11.10.10.1(5,9).2(17,20),2(27,30)]octatriaconta-3,5,7,9(34),10,15,17,19,21,25,27,29,31,35(36),37(38)-pentaadecaene-3,11,15,22,25,32-hexacarboxylate](/api/spectrum/8dTc3YCnfne/structure.png?h=300&w=458 "Hexamethyl 7-chloro-34-methoxy-1,13-diazapentacyclo[11.10.10.1(5,9).2(17,20),2(27,30)]octatriaconta-3,5,7,9(34),10,15,17,19,21,25,27,29,31,35(36),37(38)-pentaadecaene-3,11,15,22,25,32-hexacarboxylate")
| SpectraBase Compound ID | LKmUkiKgRET |
|---|---|
| InChI | InChI=1S/C49H49ClN2O13/c1-59-43-34-20-40(48(57)64-6)28-51-24-36(44(53)60-2)16-30-8-10-31(11-9-30)18-38(46(55)62-4)26-52(29-41(49(58)65-7)21-35(43)23-42(50)22-34)27-39(47(56)63-5)19-33-14-12-32(13-15-33)17-37(25-51)45(54)61-3/h8-23H,24-29H2,1-7H3/b36-16-,37-17+,38-18+,39-19+,40-20-,41-21+ |
| InChIKey | JDDKFHGIEDEKGL-RMMZLONDSA-N |
| Mol Weight | 909.4 g/mol |
| Molecular Formula | C49H49ClN2O13 |
| Exact Mass | 908.292317 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 | 8dTc3YCnfne |
|---|---|
| Name | Hexamethyl 7-chloro-34-methoxy-1,13-diazapentacyclo[11.10.10.1(5,9).2(17,20),2(27,30)]octatriaconta-3,5,7,9(34),10,15,17,19,21,25,27,29,31,35(36),37(38)-pentaadecaene-3,11,15,22,25,32-hexacarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C49H49ClN2O13 |
| InChI | InChI=1S/C49H49ClN2O13/c1-59-43-34-20-40(48(57)64-6)28-51-24-36(44(53)60-2)16-30-8-10-31(11-9-30)18-38(46(55)62-4)26-52(29-41(49(58)65-7)21-35(43)23-42(50)22-34)27-39(47(56)63-5)19-33-14-12-32(13-15-33)17-37(25-51)45(54)61-3/h8-23H,24-29H2,1-7H3/b36-16-,37-17+,38-18+,39-19+,40-20-,41-21+ |
| InChIKey | JDDKFHGIEDEKGL-RMMZLONDSA-N |
| Molecular Weight | 909.385 g/mol |
| SMILES | c12\C=C\(CN3C\C(=C\c4ccc(\C=C/(CN(C\C(=C/c(c2OC)cc(c1)Cl)C(=O)OC)C\C(=C/c1ccc(\C=C/(C3)C(=O)OC)cc1)C(=O)OC)C(=O)OC)cc4)C(=O)OC)C(=O)OC |
| SPLASH | splash10-06vl-0093000001-f39e93a677ff68026d09 |
| Source of Spectrum | F-50-7824-6 |
| Wiley ID | 1418060 |