| SpectraBase Compound ID | LwawZkNgv14 |
|---|---|
| InChI | InChI=1S/C7H18N2OS/c8-2-4-9(5-7-11)3-1-6-10/h10-11H,1-8H2 |
| InChIKey | CGNNZSUJKATVJP-UHFFFAOYSA-N |
| Mol Weight | 178.29 g/mol |
| Molecular Formula | C7H18N2OS |
| Exact Mass | 178.113984 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 87KJSCZE8sr |
|---|---|
| Name | (R)-3-Hydroxy-N-(2-aminoethyl)-N-(2-mercaptoethyl)propylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.113984381 u |
| Formula | C7H18N2OS |
| InChI | InChI=1S/C7H18N2OS/c8-2-4-9(5-7-11)3-1-6-10/h10-11H,1-8H2 |
| InChIKey | CGNNZSUJKATVJP-UHFFFAOYSA-N |
| Molecular Weight | 178.294 g/mol |
| SMILES | C(N(CCS)CCN)CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981959 |