| SpectraBase Compound ID | 8xR1nDQ5IjW |
|---|---|
| InChI | InChI=1S/C19H29NO8S/c1-6-8-16(25-12(2)21)18(27-14(4)23)19(28-15(5)24)17(26-13(3)22)9-7-10-20-11-29/h16-19H,6-10H2,1-5H3 |
| InChIKey | JFOLVZBHSBEACO-UHFFFAOYSA-N |
| Mol Weight | 431.5 g/mol |
| Molecular Formula | C19H29NO8S |
| Exact Mass | 431.161388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AylcZVpkrKa |
|---|---|
| Name | 4,5,6,7-Tetraacetoxydecyl isothiocyanate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.161388064 u |
| Formula | C19H29NO8S |
| InChI | InChI=1S/C19H29NO8S/c1-6-8-16(25-12(2)21)18(27-14(4)23)19(28-15(5)24)17(26-13(3)22)9-7-10-20-11-29/h16-19H,6-10H2,1-5H3 |
| InChIKey | JFOLVZBHSBEACO-UHFFFAOYSA-N |
| Molecular Weight | 431.500 g/mol |
| SMILES | CCCC(C(C(C(CCCN=C=S)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O |