| SpectraBase Compound ID | 7qjAp0R3yZG |
|---|---|
| InChI | InChI=1S/C18H33N3O2S/c1-2-3-4-5-6-9-12-19-16(22)11-8-7-10-15-17-14(13-24-15)20-18(23)21-17/h14-15,17H,2-13H2,1H3,(H,19,22)(H2,20,21,23)/t14-,15-,17-/m0/s1 |
| InChIKey | VYIYVLKFRPSFCT-ZOBUZTSGSA-N |
| Mol Weight | 355.5 g/mol |
| Molecular Formula | C18H33N3O2S |
| Exact Mass | 355.229348 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Rf85Hg4fFW |
|---|---|
| Name | Biotin-N-(1'-octyl)-amide |
| Alternate Name(s) | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-octylpentanamide 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-octylpentanamide 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-octyl-pentanamide 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-octyl-pentanamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H33N3O2S |
| InChI | InChI=1S/C18H33N3O2S/c1-2-3-4-5-6-9-12-19-16(22)11-8-7-10-15-17-14(13-24-15)20-18(23)21-17/h14-15,17H,2-13H2,1H3,(H,19,22)(H2,20,21,23)/t14-,15-,17-/m0/s1 |
| InChIKey | VYIYVLKFRPSFCT-ZOBUZTSGSA-N |
| Molecular Weight | 355.541 g/mol |
| SMILES | N1[C@@]2([C@](CCCCC(=O)NCCCCCCCC)(SC[C@@]2(NC1=O)[H])[H])[H] |
| SPLASH | splash10-0f8a-0940000000-d7abf5a9cd18c19d7e69 |
| Source of Spectrum | SK-27-2211-5 |
| Wiley ID | 867988 |