| SpectraBase Compound ID | 5bgrwRuUrAf |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-4-5-6-12(7-9-14-3)8-10-15-11(2)13/h12H,4-10H2,1-3H3 |
| InChIKey | QCVMWYFKFLVGKN-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BR4zupykNI2 |
|---|---|
| Name | Acetic acid, 3-(2-methoxyethyl)heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.172544630 u |
| Formula | C12H24O3 |
| InChI | InChI=1S/C12H24O3/c1-4-5-6-12(7-9-14-3)8-10-15-11(2)13/h12H,4-10H2,1-3H3 |
| InChIKey | QCVMWYFKFLVGKN-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | CC(=O)OCCC(CCCC)CCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946806 |