| SpectraBase Compound ID | HzQWJIB2EXJ |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-3-5-9-10(13-8(2)11)6-4-7-12-9/h9-10H,3-7H2,1-2H3 |
| InChIKey | BVJPGMCGODWFBG-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KzGVcqrivFJ |
|---|---|
| Name | Acetic acid, 2-propyltetrahydropyran-3-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-3-5-9-10(13-8(2)11)6-4-7-12-9/h9-10H,3-7H2,1-2H3 |
| InChIKey | BVJPGMCGODWFBG-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C1OC(C(CC1)OC(=O)C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947287 |