1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/ICDIQORYLKODSX-UHFFFAOYSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C59H63N35O21/c95-45-66-13-68-34-35-72(47(68)97)17-76-38-39-80(51(76)101)21-84-42-43-88(55(84)105)25-92-57(107)90-23-86-41-40-82(53(86)103)19-78-37-36-74(49(78)99)15-70(45)33-32(66)67-14-69(34)48(98)73(35)18-77(38)52(102)81(39)22-85(42)56(106)89(43)26-93-58(108)91(24-87(41)54(104)83(40)20-79(37)50(100)75(36)16-71(33)46(67)96)44(90)59(92,93)114-12-27-11-65(64-61-27)4-6-112-8-10-113-9-7-111-5-3-60-28-1-2-29(94(109)110)31-30(28)62-115-63-31/h1-2,11,32-44,60H,3-10,12-26H2 |
|---|---|
| SMILES | O=C1N2CN3C4N5CN6C2C2(N1CN1C7N(CN2C6=O)C(=O)N2C7N(C1=O)CN1C6N(C2)C(=O)N2C6N(C1=O)CN1C6N(C2)C(=O)N2C6N(C1=O)CN1C(=O)N6CN7C(=O)N8CN(C3=O)C4N(C5=O)CN3C8C7N(C3=O)CN3C6C1N(C3=O)C2)OCc1nnn(c1)CCOCCOCCOCCNc1ccc(c2c1non2)[N+](=O)[O-] |
| InChI Key | ICDIQORYLKODSX-UHFFFAOYSA-N |
| Molecular Formula | C59H63N35O21 |
| Exact Mass | 1598.353 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 1b3621b8-3c22-406f-be78-977a0b05215d |
| Package id | 10-14272-icdiqorylkodsx-uhfffaoysa-n-chmo0000593 |
| Resource type | HTML |
| State | active |