| SpectraBase Compound ID | Aj1NDCrKMOW |
|---|---|
| InChI | InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1 |
| InChIKey | AMSCMASJCYVAIF-QCVMBYIASA-N |
| Mol Weight | 478.7 g/mol |
| Molecular Formula | C28H50N2O4 |
| Exact Mass | 478.377058 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6TLop42JGvt |
|---|---|
| Name | Carpaine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H50N2O4 |
| InChI | InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1 |
| InChIKey | AMSCMASJCYVAIF-QCVMBYIASA-N |
| Molecular Weight | 478.718 g/mol |
| SMILES | N1[C@@]2(CCCCCCCC(O[C@@]3([C@@](N[C@](CCCCCCCC(O[C@@](CC2)([C@@]1(C)[H])[H])=O)(CC3)[H])(C)[H])[H])=O)[H] |
| SPLASH | splash10-0006-3291200000-57195cf5186b7f325bf4 |
| Source of Spectrum | D3-1980-807-24 |
| Wiley ID | 1394843 |