| SpectraBase Compound ID | BY33v8Cl71J |
|---|---|
| InChI | InChI=1S/C15H32N2S/c1-3-5-7-9-11-13-16-15(18)17-14-12-10-8-6-4-2/h3-14H2,1-2H3,(H2,16,17,18) |
| InChIKey | ZVFTWKBRNQSRLB-UHFFFAOYSA-N |
| Mol Weight | 272.5 g/mol |
| Molecular Formula | C15H32N2S |
| Exact Mass | 272.22862 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EJF93F93FVO |
|---|---|
| Name | 1,3-Diheptyl-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.228620212 u |
| Formula | C15H32N2S |
| InChI | InChI=1S/C15H32N2S/c1-3-5-7-9-11-13-16-15(18)17-14-12-10-8-6-4-2/h3-14H2,1-2H3,(H2,16,17,18) |
| InChIKey | ZVFTWKBRNQSRLB-UHFFFAOYSA-N |
| Molecular Weight | 272.495 g/mol |
| SMILES | N(CCCCCCC)C(NCCCCCCC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.998545 |