13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/ODWHLKFAWRSOGN-UHFFFAOYSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C107H121N9/c1-98(2,3)61-31-41-81-71(51-61)72-52-62(99(4,5)6)32-42-82(72)112(81)92-91(97-108-110-111-109-97)93(113-83-43-33-63(100(7,8)9)53-73(83)74-54-64(101(10,11)12)34-44-84(74)113)95(115-87-47-37-67(104(19,20)21)57-77(87)78-58-68(105(22,23)24)38-48-88(78)115)96(116-89-49-39-69(106(25,26)27)59-79(89)80-60-70(107(28,29)30)40-50-90(80)116)94(92)114-85-45-35-65(102(13,14)15)55-75(85)76-56-66(103(16,17)18)36-46-86(76)114/h31-60H,1-30H3,(H,108,109,110,111) |
|---|---|
| SMILES | CC(c1ccc2c(c1)c1cc(ccc1n2c1c(n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)c(c(c(c1n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)c1nn[nH]n1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C |
| InChI Key | ODWHLKFAWRSOGN-UHFFFAOYSA-N |
| Exact Mass | 1533.166 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 | 85ab0e94-9fdf-4740-b9ef-908f0dab1902 |
| Package id | 10-14272-odwhlkfawrsogn-uhfffaoysa-n-chmo0000595 |
| Resource type | HTML |
| State | active |