heteronuclear single quantum coherence total...
URL: https://www.chemotion-repository.net/inchikey/UJWZEMBRPRMIEA-UHFFFAOYSA-N/CHMO0001071
Dataset description:
dataset for heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)\n\n
Source: heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)
Chemical Info
| InChI | InChI=1S/C76H74N2S2/c1-73(2,3)53-25-33-65-61(43-53)62-44-54(74(4,5)6)26-34-66(62)77(65)57-29-21-51(22-30-57)69-37-39-71(79-69)59-41-47-13-17-49(59)19-15-48-14-18-50(20-16-47)60(42-48)72-40-38-70(80-72)52-23-31-58(32-24-52)78-67-35-27-55(75(7,8)9)45-63(67)64-46-56(76(10,11)12)28-36-68(64)78/h13-14,17-18,21-46H,15-16,19-20H2,1-12H3 |
|---|---|
| SMILES | CC(c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C |
| InChI Key | UJWZEMBRPRMIEA-UHFFFAOYSA-N |
| Molecular Formula | C76H74N2S2 |
| Exact Mass | 1079.544 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 | e2774052-f2f9-4674-97cd-f362ac6d1664 |
| Package id | 10-14272-ujwzembrprmiea-uhfffaoysa-n-chmo0001071 |
| Resource type | HTML |
| State | active |