| SpectraBase Compound ID | 9UEUs2QlMmI |
|---|---|
| InChI | InChI=1S/C13H25NS2/c15-13(16)14-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H2,14,15,16) |
| InChIKey | DXXIIOUAQWVGEF-UHFFFAOYSA-N |
| Mol Weight | 259.47 g/mol |
| Molecular Formula | C13H25NS2 |
| Exact Mass | 259.142842 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BuS4JYFMujv |
|---|---|
| Name | Dithiocyclododecanecarbamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.142842157 u |
| Formula | C13H25NS2 |
| InChI | InChI=1S/C13H25NS2/c15-13(16)14-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H2,14,15,16) |
| InChIKey | DXXIIOUAQWVGEF-UHFFFAOYSA-N |
| Molecular Weight | 259.470 g/mol |
| SMILES | N(C1CCCCCCCCCCC1)C(S)=S |
| Spectrum/Structure Validation Score (Raman) | 0.983156 |