| SpectraBase Compound ID | 19b5AG5qyVY |
|---|---|
| InChI | InChI=1S/C12H20O4/c13-11-7-3-4-8-12(14)16-10-6-2-1-5-9-15-11/h1-10H2 |
| InChIKey | RNQBCZCPNUHWLV-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 30jk6j08TNF |
|---|---|
| Name | Adipic acid, hexamethylene ester, polymer, 'mg 2000' |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c13-11-7-3-4-8-12(14)16-10-6-2-1-5-9-15-11/h1-10H2 |
| InChIKey | RNQBCZCPNUHWLV-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C1(CCCCC(OCCCCCCO1)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.896273 |