| SpectraBase Compound ID | 5XhZhtHbyQS |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-3-4-5-6-7-8-9-10-13-16-26-21(23)17-25-18-22(24)27-20-15-12-11-14-19(20)2/h11-12,14-15H,3-10,13,16-18H2,1-2H3 |
| InChIKey | XAMRFQXYXKYHSM-UHFFFAOYSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjiLq8Bs74Q |
|---|---|
| Name | Diglycolic acid, 2-methylphenyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.240624190 u |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-3-4-5-6-7-8-9-10-13-16-26-21(23)17-25-18-22(24)27-20-15-12-11-14-19(20)2/h11-12,14-15H,3-10,13,16-18H2,1-2H3 |
| InChIKey | XAMRFQXYXKYHSM-UHFFFAOYSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCC)(=O)OC1=C(C=CC=C1)C |