| SpectraBase Compound ID | 9jDWDMptrS3 |
|---|---|
| InChI | InChI=1S/C16H28N2O3S/c1-2-3-4-7-10-21-14(19)9-6-5-8-13-15-12(11-22-13)17-16(20)18-15/h12-13,15H,2-11H2,1H3,(H2,17,18,20)/t12-,13-,15-/m0/s1 |
| InChIKey | AUTBJGJPHVZUPK-YDHLFZDLSA-N |
| Mol Weight | 328.47 g/mol |
| Molecular Formula | C16H28N2O3S |
| Exact Mass | 328.182064 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | beETd2V9IP |
|---|---|
| Name | Biotin-hexyl-ester |
| Alternate Name(s) | Hexyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid hexyl ester Hexyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate Hexyl 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H28N2O3S |
| InChI | InChI=1S/C16H28N2O3S/c1-2-3-4-7-10-21-14(19)9-6-5-8-13-15-12(11-22-13)17-16(20)18-15/h12-13,15H,2-11H2,1H3,(H2,17,18,20)/t12-,13-,15-/m0/s1 |
| InChIKey | AUTBJGJPHVZUPK-YDHLFZDLSA-N |
| Molecular Weight | 328.471 g/mol |
| SMILES | N1[C@@]2([C@@](SC[C@@]2(NC1=O)[H])(CCCCC(=O)OCCCCCC)[H])[H] |
| SPLASH | splash10-0aor-0921000000-6aa4b8538af3678ad15e |
| Source of Spectrum | SK-27-2213-12 |
| Wiley ID | 867981 |