| SpectraBase Compound ID | 6S6UgrFguxg |
|---|---|
| InChI | InChI=1S/C16H32O3/c1-4-5-6-7-8-9-12-15(18-2)13-10-11-14-16(17)19-3/h15H,4-14H2,1-3H3 |
| InChIKey | UJFPPUQYGFPLEQ-UHFFFAOYSA-N |
| Mol Weight | 272.4 g/mol |
| Molecular Formula | C16H32O3 |
| Exact Mass | 272.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E5rhg5EzFG |
|---|---|
| Name | Butolic acid, methyl ester, methyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.235144887 u |
| Formula | C16H32O3 |
| InChI | InChI=1S/C16H32O3/c1-4-5-6-7-8-9-12-15(18-2)13-10-11-14-16(17)19-3/h15H,4-14H2,1-3H3 |
| InChIKey | UJFPPUQYGFPLEQ-UHFFFAOYSA-N |
| SMILES | C(CCCCC(CCCCCCCC)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881055 |