| SpectraBase Compound ID | LklE9A6IrC9 |
|---|---|
| InChI | InChI=1S/C8H16O4/c1-8(10)12-6-3-2-5-11-7-4-9/h9H,2-7H2,1H3 |
| InChIKey | BOWZJNBQDAIVHD-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C8H16O4 |
| Exact Mass | 176.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 18CgRRZYr3p |
|---|---|
| Name | 4-(2-Hydroxyethoxy)butyl ester of acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.104858991 u |
| Formula | C8H16O4 |
| InChI | InChI=1S/C8H16O4/c1-8(10)12-6-3-2-5-11-7-4-9/h9H,2-7H2,1H3 |
| InChIKey | BOWZJNBQDAIVHD-UHFFFAOYSA-N |
| Molecular Weight | 176.212 g/mol |
| SMILES | C(=O)(OCCCCOCCO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928843 |