| SpectraBase Compound ID | A0axhEMW1AC |
|---|---|
| InChI | InChI=1S/C16H28O5/c1-19-15(17)9-7-5-3-4-6-8-13-10-11-14(21-13)12-16(18)20-2/h13-14H,3-12H2,1-2H3 |
| InChIKey | FKQPYGOXPVDHPH-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C16H28O5 |
| Exact Mass | 300.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CeTwZp5ZLO |
|---|---|
| Name | Tetradecanedioic acid, 3,6-epoxy-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.193673997 u |
| Formula | C16H28O5 |
| InChI | InChI=1S/C16H28O5/c1-19-15(17)9-7-5-3-4-6-8-13-10-11-14(21-13)12-16(18)20-2/h13-14H,3-12H2,1-2H3 |
| InChIKey | FKQPYGOXPVDHPH-UHFFFAOYSA-N |
| Molecular Weight | 300.395 g/mol |
| SMILES | COC(CC1OC(CCCCCCCC(OC)=O)CC1)=O |