| SpectraBase Compound ID | LZSmE5yGPdY |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-3-4-13-18-25-21(23)16-9-7-5-6-8-10-17-22(24)26-20-15-12-11-14-19(20)2/h11-12,14-15H,3-10,13,16-18H2,1-2H3 |
| InChIKey | ZAYJRHJAURRUHU-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6AGletFAlmg |
|---|---|
| Name | Sebacic acid, 2-methylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-3-4-13-18-25-21(23)16-9-7-5-6-8-10-17-22(24)26-20-15-12-11-14-19(20)2/h11-12,14-15H,3-10,13,16-18H2,1-2H3 |
| InChIKey | ZAYJRHJAURRUHU-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCCCCCC(OC=1C(C)=CC=CC1)=O)CC(OCCCCC)=O |