| SpectraBase Compound ID | 2oK07rMfPIk |
|---|---|
| InChI | InChI=1S/C13H27NS2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13(15)16/h2-12H2,1H3,(H2,14,15,16) |
| InChIKey | IDANMTLVCVALJN-UHFFFAOYSA-N |
| Mol Weight | 261.49 g/mol |
| Molecular Formula | C13H27NS2 |
| Exact Mass | 261.158492 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LQaS2Lv9yEh |
|---|---|
| Name | Dithiododecylcarbamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.158492221 u |
| Formula | C13H27NS2 |
| InChI | InChI=1S/C13H27NS2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13(15)16/h2-12H2,1H3,(H2,14,15,16) |
| InChIKey | IDANMTLVCVALJN-UHFFFAOYSA-N |
| Molecular Weight | 261.486 g/mol |
| SMILES | N(CCCCCCCCCCCC)C(S)=S |
| Spectrum/Structure Validation Score (Raman) | 0.99338 |