| SpectraBase Compound ID | 2fB3oB7gOQX |
|---|---|
| InChI | InChI=1S/C7H14O3/c1-3-4-7(9)10-5-6(2)8/h6,8H,3-5H2,1-2H3 |
| InChIKey | QXXGFEMAULVMST-UHFFFAOYSA-N |
| Mol Weight | 146.19 g/mol |
| Molecular Formula | C7H14O3 |
| Exact Mass | 146.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 92XCLO9Qi3x |
|---|---|
| Name | (2-Hydroxy)-propyl-1-butyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.094294308 u |
| Formula | C7H14O3 |
| InChI | InChI=1S/C7H14O3/c1-3-4-7(9)10-5-6(2)8/h6,8H,3-5H2,1-2H3 |
| InChIKey | QXXGFEMAULVMST-UHFFFAOYSA-N |
| Molecular Weight | 146.186 g/mol |
| SMILES | C(O)(COC(=O)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989754 |