| SpectraBase Compound ID | AC1HUupqEE |
|---|---|
| InChI | InChI=1S/C30H51N3O3S/c1-27-18-20-29(21-19-27)37(35,36)33-25-13-12-24-32-23-11-10-16-28(32)15-8-6-4-2-3-5-7-9-17-30(34)31-22-14-26-33/h18-21,28H,2-17,22-26H2,1H3,(H,31,34)/t28-/m1/s1 |
| InChIKey | SYWUZHITSOVJCN-MUUNZHRXSA-N |
| Mol Weight | 533.8 g/mol |
| Molecular Formula | C30H51N3O3S |
| Exact Mass | 533.365114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4aTrkSHCLtv |
|---|---|
| Name | N-Tosylisooncinotine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 533.365113685 u |
| Formula | C30H51N3O3S |
| InChI | InChI=1S/C30H51N3O3S/c1-27-18-20-29(21-19-27)37(35,36)33-25-13-12-24-32-23-11-10-16-28(32)15-8-6-4-2-3-5-7-9-17-30(34)31-22-14-26-33/h18-21,28H,2-17,22-26H2,1H3,(H,31,34)/t28-/m1/s1 |
| InChIKey | SYWUZHITSOVJCN-MUUNZHRXSA-N |
| Molecular Weight | 533.816 g/mol |
| SMILES | C1C[C@@]2(N(CC1)CCCCN(CCCNC(CCCCCCCCCC2)=O)S(C1=CC=C(C=C1)C)(=O)=O)[H] |