| SpectraBase Compound ID | FeBUOtAIWNG |
|---|---|
| InChI | InChI=1S/C10H23NO3/c11-10(4-1-7-12,5-2-8-13)6-3-9-14/h12-14H,1-9,11H2 |
| InChIKey | HACQKMWYOKGLET-UHFFFAOYSA-N |
| Mol Weight | 205.3 g/mol |
| Molecular Formula | C10H23NO3 |
| Exact Mass | 205.167794 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IaUl4HSO5RI |
|---|---|
| Name | 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.167793602 u |
| Formula | C10H23NO3 |
| InChI | InChI=1S/C10H23NO3/c11-10(4-1-7-12,5-2-8-13)6-3-9-14/h12-14H,1-9,11H2 |
| InChIKey | HACQKMWYOKGLET-UHFFFAOYSA-N |
| Molecular Weight | 205.298 g/mol |
| SMILES | C(O)CCC(CCCO)(CCCO)N |
| Spectrum/Structure Validation Score (Raman) | 0.980734 |