| SpectraBase Compound ID | H2mZIhORsmR |
|---|---|
| InChI | InChI=1S/C7H16O3/c8-5-1-3-7(10)4-2-6-9/h7-10H,1-6H2 |
| InChIKey | LTBLRTCVEAUSON-UHFFFAOYSA-N |
| Mol Weight | 148.2 g/mol |
| Molecular Formula | C7H16O3 |
| Exact Mass | 148.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ECTpuazIf0S |
|---|---|
| Name | 1,4,7-Heptanetriol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.109944372 u |
| Formula | C7H16O3 |
| InChI | InChI=1S/C7H16O3/c8-5-1-3-7(10)4-2-6-9/h7-10H,1-6H2 |
| InChIKey | LTBLRTCVEAUSON-UHFFFAOYSA-N |
| Molecular Weight | 148.202 g/mol |
| SMILES | OCCCC(CCCO)O |