| SpectraBase Compound ID | G7vIZ7Tt9iK |
|---|---|
| InChI | InChI=1S/C16H30O5/c1-4-5-10-19-11-12-20-15(17)8-6-7-9-16(18)21-13-14(2)3/h14H,4-13H2,1-3H3 |
| InChIKey | NVRBLIXTXVNRPN-UHFFFAOYSA-N |
| Mol Weight | 302.41 g/mol |
| Molecular Formula | C16H30O5 |
| Exact Mass | 302.209324 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EWPYHvn6PBB |
|---|---|
| Name | Adipic acid, 2-butoxyethyl isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.209324061 u |
| Formula | C16H30O5 |
| InChI | InChI=1S/C16H30O5/c1-4-5-10-19-11-12-20-15(17)8-6-7-9-16(18)21-13-14(2)3/h14H,4-13H2,1-3H3 |
| InChIKey | NVRBLIXTXVNRPN-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCC(OCC(C)C)=O)OCCOCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86759 |