| SpectraBase Compound ID | DN8WkQ8sR2E |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-2-6-9-7-4-3-5-8/h1,8H,3-7H2 |
| InChIKey | IXSYJRDNEMKUIE-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 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 | 67fPFwEcpvW |
|---|---|
| Name | 4-(Prop-2-ynyloxy)butan-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-2-6-9-7-4-3-5-8/h1,8H,3-7H2 |
| InChIKey | IXSYJRDNEMKUIE-UHFFFAOYSA-N |
| SMILES | C(#C)COCCCCO |