| SpectraBase Compound ID | 1JPwLr5IAJB |
|---|---|
| InChI | InChI=1S/C8H18O3S/c1-4-5-6-7-10-12(9)11-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey | NKDAKQHHNTZCFY-UHFFFAOYSA-N |
| Mol Weight | 194.29 g/mol |
| Molecular Formula | C8H18O3S |
| Exact Mass | 194.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHf28cTNXTa |
|---|---|
| Name | Sulfurous acid, pentyl 2-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.097665611 u |
| Formula | C8H18O3S |
| InChI | InChI=1S/C8H18O3S/c1-4-5-6-7-10-12(9)11-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey | NKDAKQHHNTZCFY-UHFFFAOYSA-N |
| Molecular Weight | 194.289 g/mol |
| SMILES | CC(C)OS(=O)OCCCCC |