| SpectraBase Compound ID | GoBQLnySinf |
|---|---|
| InChI | InChI=1S/C34H52N2O2S.2HI/c1-27(9-7-11-29-15-19-37-21-29)31-13-17-33(24-35(31,3)4)23-34(39-26-33)18-14-32(36(5,6)25-34)28(2)10-8-12-30-16-20-38-22-30;;/h7-8,11-12,15-16,19-22,27-28,31-32H,9-10,13-14,17-18,23-26H2,1-6H3;2*1H/q+2;;/p-2/b11-7+,12-8+;;/t27?,28?,31-,32-,33?,34?;;/m1../s1 |
| InChIKey | KHPWCCIXVONAPT-ABCPQMHTSA-L |
| Mol Weight | 806.67095 g/mol |
| Molecular Formula | C34H52I2N2O2S |
| Exact Mass | 806.18389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IvWe0PsJN0o |
|---|---|
| Name | KHPWCCIXVONAPT-ABCPQMHTSA-L |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52I2N2O2S |
| InChI | InChI=1S/C34H52N2O2S.2HI/c1-27(9-7-11-29-15-19-37-21-29)31-13-17-33(24-35(31,3)4)23-34(39-26-33)18-14-32(36(5,6)25-34)28(2)10-8-12-30-16-20-38-22-30;;/h7-8,11-12,15-16,19-22,27-28,31-32H,9-10,13-14,17-18,23-26H2,1-6H3;2*1H/q+2;;/p-2/b11-7+,12-8+;;/t27?,28?,31-,32-,33?,34?;;/m1../s1 |
| InChIKey | KHPWCCIXVONAPT-ABCPQMHTSA-L |
| Literature Reference Author | J.CYBULSKI,K.WOJTASIEWICZ,J.T.WROBEL |
| Literature Reference Citation | HETEROCYCLES,22,2541(1984) |
| Literature Reference DOI | 10.3987/R-1984-11-2541 |
| Molecular Weight | 806.668 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS9360 |