| SpectraBase Compound ID | GnyhsZVCN3W |
|---|---|
| InChI | InChI=1S/C10H17NO2/c12-9-10(13)5-1-2-6-11-7-3-4-8-11/h3-4,7-8,10,12-13H,1-2,5-6,9H2 |
| InChIKey | RMNYWEVNBOIRER-UHFFFAOYSA-N |
| Mol Weight | 183.25 g/mol |
| Molecular Formula | C10H17NO2 |
| Exact Mass | 183.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEqaAA2CCWc |
|---|---|
| Name | 1,2-Hexanediol, 6-(1H-pyrrol-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.125928789 u |
| Formula | C10H17NO2 |
| InChI | InChI=1S/C10H17NO2/c12-9-10(13)5-1-2-6-11-7-3-4-8-11/h3-4,7-8,10,12-13H,1-2,5-6,9H2 |
| InChIKey | RMNYWEVNBOIRER-UHFFFAOYSA-N |
| Molecular Weight | 183.251 g/mol |
| SMILES | C=1N(C=CC1)CCCCC(O)CO |