| SpectraBase Compound ID | Bbj1U97j60N |
|---|---|
| InChI | InChI=1S/C12H24O5S/c1-2-3-4-5-6-18-12-10(16)9(15)11(17-12)8(14)7-13/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1 |
| InChIKey | XAOPSIZFCOWIGO-UHFFFAOYSA-N |
| Mol Weight | 280.38 g/mol |
| Molecular Formula | C12H24O5S |
| Exact Mass | 280.134445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gu1dIQiyv0g |
|---|---|
| Name | alpha-D-Mannofuranoside, 1-thio-N-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.134445042 u |
| Formula | C12H24O5S |
| InChI | InChI=1S/C12H24O5S/c1-2-3-4-5-6-18-12-10(16)9(15)11(17-12)8(14)7-13/h8-16H,2-7H2,1H3 |
| InChIKey | XAOPSIZFCOWIGO-UHFFFAOYSA-N |
| Molecular Weight | 280.379 g/mol |
| SMILES | OC1C(C(OC1C(CO)O)SCCCCCC)O |