| SpectraBase Compound ID | 12yHOCzwVRJ |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-6-9-19-15(17)16(18)20-14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3 |
| InChIKey | SUPHHMFMRORGNA-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BlpJL5QeBps |
|---|---|
| Name | Oxalic acid, butyl 1-menthyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-6-9-19-15(17)16(18)20-14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3 |
| InChIKey | SUPHHMFMRORGNA-UHFFFAOYSA-N |
| SMILES | C(C(OCCCC)=O)(OC1C(C(C)C)CCC(C)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853256 |