| SpectraBase Compound ID | 94GSNsrHlw6 |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3 |
| InChIKey | NKOUWLLFHNBUDW-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G1IKBAsJYli |
|---|---|
| Name | Adipic acid, dipropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3 |
| InChIKey | NKOUWLLFHNBUDW-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | CCCOC(CCCCC(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.971299 |