| SpectraBase Compound ID | JYxnbhV3erH |
|---|---|
| InChI | InChI=1S/C12H26O3S/c1-4-5-6-7-8-9-10-11-14-16(13)15-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey | VNJPNCNTXDKLLQ-UHFFFAOYSA-N |
| Mol Weight | 250.4 g/mol |
| Molecular Formula | C12H26O3S |
| Exact Mass | 250.160266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6AMBuwUtB70 |
|---|---|
| Name | Sulfurous acid, nonyl 2-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.160265868 u |
| Formula | C12H26O3S |
| InChI | InChI=1S/C12H26O3S/c1-4-5-6-7-8-9-10-11-14-16(13)15-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey | VNJPNCNTXDKLLQ-UHFFFAOYSA-N |
| Molecular Weight | 250.397 g/mol |
| SMILES | CCCCCCCCCOS(OC(C)C)=O |