| SpectraBase Compound ID | LI0yIKgMJE1 |
|---|---|
| InChI | InChI=1S/C18H39NO3S2/c1-3-5-7-9-11-13-15-19(17-18-23-24(20,21)22)16-14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,20,21,22) |
| InChIKey | MRMNVKMKLVLARX-UHFFFAOYSA-N |
| Mol Weight | 381.6 g/mol |
| Molecular Formula | C18H39NO3S2 |
| Exact Mass | 381.237136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3nm6dHlbHzx |
|---|---|
| Name | 2-Dioctylaminoethanethiosulfuric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.237136465 u |
| Formula | C18H39NO3S2 |
| InChI | InChI=1S/C18H39NO3S2/c1-3-5-7-9-11-13-15-19(17-18-23-24(20,21)22)16-14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,20,21,22) |
| InChIKey | MRMNVKMKLVLARX-UHFFFAOYSA-N |
| Molecular Weight | 381.634 g/mol |
| SMILES | C(CCCCCCN(CCSS(=O)(O)=O)CCCCCCCC)C |