| SpectraBase Compound ID | DlZXVdpB0zB |
|---|---|
| InChI | InChI=1S/C24H35NO4/c1-7-8-17-11-10-16-13-15(2)9-12-18(16)24(17,3)22(26)20-21(29-6)19(14-28-5)25(4)23(20)27/h7-8,10-11,15-19H,9,12-14H2,1-6H3/b8-7+/t15-,16-,17-,18-,19-,24-/m1/s1 |
| InChIKey | LFZOHOYJWJJMEU-VGSOPPJTSA-N |
| Mol Weight | 401.5 g/mol |
| Molecular Formula | C24H35NO4 |
| Exact Mass | 401.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6O2uFmHj9N |
|---|---|
| Name | Equisetin, dimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.256608607 u |
| Formula | C24H35NO4 |
| InChI | InChI=1S/C24H35NO4/c1-7-8-17-11-10-16-13-15(2)9-12-18(16)24(17,3)22(26)20-21(29-6)19(14-28-5)25(4)23(20)27/h7-8,10-11,15-19H,9,12-14H2,1-6H3/b8-7+/t15-,16-,17-,18-,19-,24-/m1/s1 |
| InChIKey | LFZOHOYJWJJMEU-VGSOPPJTSA-N |
| Molecular Weight | 401.547 g/mol |
| SMILES | C1[C@](C[C@]2(C=C[C@]([C@]([C@@]2(C1)[H])(C(C=1C(N([C@@](C1OC)(COC)[H])C)=O)=O)C)(\C=C\C)[H])[H])(C)[H] |