| SpectraBase Compound ID | 7pPmrnsHaPg |
|---|---|
| InChI | InChI=1S/C10H17NO/c1-2-3-4-7-11-8-5-6-10(11)9-12/h10,12H,4-9H2,1H3/t10-/m0/s1 |
| InChIKey | DAURUHVHHVGWNQ-JTQLQIEISA-N |
| Mol Weight | 167.25 g/mol |
| Molecular Formula | C10H17NO |
| Exact Mass | 167.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JHE7bSf2HI0 |
|---|---|
| Name | (S)-N-(3-Pentynyl)prolinol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.131014170 u |
| Formula | C10H17NO |
| InChI | InChI=1S/C10H17NO/c1-2-3-4-7-11-8-5-6-10(11)9-12/h10,12H,4-9H2,1H3/t10-/m0/s1 |
| InChIKey | DAURUHVHHVGWNQ-JTQLQIEISA-N |
| Molecular Weight | 167.252 g/mol |
| SMILES | [C@]1(N(CCC1)CCC#CC)(CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967113 |