| SpectraBase Compound ID | J2HMsldWOKH |
|---|---|
| InChI | InChI=1S/C10H20O3/c1-4-6-8-12-10(11)13-9(3)7-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | AQTSKIOUXRDZMS-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C10H20O3 |
| Exact Mass | 188.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6cMsg3O3fqf |
|---|---|
| Name | Carbonic acid, butyl 2-pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.141244501 u |
| Formula | C10H20O3 |
| InChI | InChI=1S/C10H20O3/c1-4-6-8-12-10(11)13-9(3)7-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | AQTSKIOUXRDZMS-UHFFFAOYSA-N |
| Molecular Weight | 188.267 g/mol |
| SMILES | CCCCOC(=O)OC(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94033 |