| SpectraBase Compound ID | CL52d0j67Qp |
|---|---|
| InChI | InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3-/t15-,17-,19+,20+,21-/m0/s1 |
| InChIKey | VZZBVNLFHYEUHM-AYQIFLEDSA-N |
| Mol Weight | 370.45 g/mol |
| Molecular Formula | C21H26N2O4 |
| Exact Mass | 370.189257 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jt0htxAh23i |
|---|---|
| Name | Nb-Demethylechitamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N2O4 |
| InChI | InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3-/t15-,17-,19+,20+,21-/m0/s1 |
| InChIKey | VZZBVNLFHYEUHM-AYQIFLEDSA-N |
| Molecular Weight | 370.449 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@@]([C@]34[C@]1(N(C\C2=C/C)CC4)Nc1ccccc31)(C(=O)OC)CO)[H])[H] |
| SPLASH | splash10-0fk9-0519000000-ff5ed5aa6194ab0fae6c |
| Source of Spectrum | F7-12-378-94 |
| Wiley ID | 1556780 |