| SpectraBase Compound ID | 6k1hOuHc6qL |
|---|---|
| InChI | InChI=1S/C21H34N2O3S/c1-2-3-4-5-6-7-8-9-12-15-26-19(24)14-11-10-13-18-20-17(16-27-18)22-21(25)23-20/h1,17-18,20H,3-16H2,(H2,22,23,25)/t17-,18-,20-/m0/s1 |
| InChIKey | UWWAOCMGEGQGQM-BJLQDIEVSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C21H34N2O3S |
| Exact Mass | 394.229014 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BvmrefekFb3 |
|---|---|
| Name | Biotin-(undec-10'-yn-1'-yl)-ester |
| Alternate Name(s) | 10-undecynyl 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 undec-10-ynyl ester undec-10-ynyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate undec-10-ynyl 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 | C21H34N2O3S |
| InChI | InChI=1S/C21H34N2O3S/c1-2-3-4-5-6-7-8-9-12-15-26-19(24)14-11-10-13-18-20-17(16-27-18)22-21(25)23-20/h1,17-18,20H,3-16H2,(H2,22,23,25)/t17-,18-,20-/m0/s1 |
| InChIKey | UWWAOCMGEGQGQM-BJLQDIEVSA-N |
| Molecular Weight | 394.574 g/mol |
| SMILES | N1[C@@]2([C@@](SC[C@@]2(NC1=O)[H])(CCCCC(=O)OCCCCCCCCCC#C)[H])[H] |
| SPLASH | splash10-002b-9352000000-47496ca2f530885f7472 |
| Source of Spectrum | SK-27-2214-14 |
| Wiley ID | 867979 |