| SpectraBase Compound ID | FyBMfLJMHS1 |
|---|---|
| InChI | InChI=1S/C25H17N3O8/c29-22-16-2-1-3-17(27-16)23(30)34-12-13-35-24(31)18-9-7-15(26-18)6-4-14-5-8-19-25(32)36-20(10-11-33-22)21(14)28-19/h1-9H,10-13H2/b14-4-,15-6- |
| InChIKey | BLKAOSLSXGGLOO-SHMRKYSSSA-N |
| Mol Weight | 487.42 g/mol |
| Molecular Formula | C25H17N3O8 |
| Exact Mass | 487.101565 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 | 38Y9KiH3hq7 |
|---|---|
| Name | 14H-2,25:20,22-Dietheno-9,13-nitrilo-8H-4,7,15,18,1,21-benzotetraoxadiazacyclotricosine-3,8,14,19-tetrone, 5,6,16,17-tetrahydro- |
| CAS Registry Number | 109071-50-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H17N3O8 |
| InChI | InChI=1S/C25H17N3O8/c29-22-16-2-1-3-17(27-16)23(30)34-12-13-35-24(31)18-9-7-15(26-18)6-4-14-5-8-19-25(32)36-20(10-11-33-22)21(14)28-19/h1-9H,10-13H2/b14-4-,15-6- |
| InChIKey | BLKAOSLSXGGLOO-SHMRKYSSSA-N |
| Molecular Weight | 487.424 g/mol |
| SMILES | C1=2N=C3C=C\C1=C/C=C/1N=C(C(OCCOC(c4nc(C(OCCC2OC3=O)=O)ccc4)=O)=O)C=C1 |
| SPLASH | splash10-00di-1609000000-47c9b25182e3f65c6008 |
| Source of Spectrum | Y-23-1330-18 |
| Synonyms | 12,15,23,30-tetraoxa-28,31,32-triazapentacyclo[24.2.2.1(7,10).1(17,21).0(4,27)]dotriaconta-1(28),2,4,6,8,10(32),17(31),18,20,26-decaene-11,16,22,29-tetrone 3,6,14,17-Tetraoxa-28,31,32-triazapentacylo[17.8.4.1(8,12).0(21,30).0(25,29)]-dotriaconta-8,10,12(32),19,21,23,25,27(1),28,30-decaene-2,7,13,18-tetraone monohydrate |
| Wiley ID | 1396689 |