heteronuclear single quantum coherence total...
URL: https://www.chemotion-repository.net/inchikey/VSMLPIPFGGPRRP-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/C76H78N2S2/c1-73(2,3)57-25-37-63(38-26-57)77(64-39-27-58(28-40-64)74(4,5)6)61-33-21-55(22-34-61)69-45-47-71(79-69)67-49-51-13-17-53(67)19-15-52-14-18-54(20-16-51)68(50-52)72-48-46-70(80-72)56-23-35-62(36-24-56)78(65-41-29-59(30-42-65)75(7,8)9)66-43-31-60(32-44-66)76(10,11)12/h13-14,17-18,21-50H,15-16,19-20H2,1-12H3 |
|---|---|
| SMILES | CC(c1ccc(cc1)N(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)(C)C |
| InChI Key | VSMLPIPFGGPRRP-UHFFFAOYSA-N |
| Molecular Formula | C76H78N2S2 |
| Exact Mass | 1083.576 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 | e85c27c1-a458-4cbb-a506-d37e767cd40f |
| Package id | 10-14272-vsmlpipfggprrp-uhfffaoysa-n-chmo0001071 |
| Resource type | HTML |
| State | active |