| SpectraBase Compound ID | 7Ju29Vmv4Mh |
|---|---|
| InChI | InChI=1S/C30H58O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-34-29(31)24-21-18-15-16-19-22-25-30(32)35-28-27-33-2/h3-28H2,1-2H3 |
| InChIKey | BPVTUZXGILRDKV-UHFFFAOYSA-N |
| Mol Weight | 498.8 g/mol |
| Molecular Formula | C30H58O5 |
| Exact Mass | 498.428425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QQu58vnLpr |
|---|---|
| Name | Sebacic acid, heptadecyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 498.428424963 u |
| Formula | C30H58O5 |
| InChI | InChI=1S/C30H58O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-34-29(31)24-21-18-15-16-19-22-25-30(32)35-28-27-33-2/h3-28H2,1-2H3 |
| InChIKey | BPVTUZXGILRDKV-UHFFFAOYSA-N |
| Molecular Weight | 498.789 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCCCCCCCCCCC)=O)=O)COC |