| SpectraBase Compound ID | 2hgZf7qu63Q |
|---|---|
| InChI | InChI=1S/C8H13NO/c1-7(6-10)5-8-3-2-4-9-8/h5,10H,2-4,6H2,1H3/b7-5+ |
| InChIKey | OVEAHNRROQJNLF-FNORWQNLSA-N |
| Mol Weight | 139.2 g/mol |
| Molecular Formula | C8H13NO |
| Exact Mass | 139.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LDMjW9l1ZqD |
|---|---|
| Name | E-2-(3-Hydroxy-2-methyl-1-propenyl)-1-pyrroline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.099714042 u |
| Formula | C8H13NO |
| InChI | InChI=1S/C8H13NO/c1-7(6-10)5-8-3-2-4-9-8/h5,10H,2-4,6H2,1H3/b7-5+ |
| InChIKey | OVEAHNRROQJNLF-FNORWQNLSA-N |
| Molecular Weight | 139.198 g/mol |
| SMILES | C1(=NCCC1)\C=C\(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830241 |