| SpectraBase Compound ID | J4oaniU3Bmm |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-27(28)26-21-20-24(2)23-25(26)3/h20-21,23H,4-19,22H2,1-3H3 |
| InChIKey | OOJZJMVAUXUTLN-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RCYzGCUyuz |
|---|---|
| Name | Benzoic acid, 2,4-dimethyl-, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.349780719 u |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-27(28)26-21-20-24(2)23-25(26)3/h20-21,23H,4-19,22H2,1-3H3 |
| InChIKey | OOJZJMVAUXUTLN-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C(C1=CC=C(C=C1C)C)(=O)OCCCCCCCCCCCCCCCCCC |