| SpectraBase Compound ID | YvIpFUkYSB |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-27(29)25-22-19-18-21-24(25)26(28)30-2/h18-19,21-22H,3-17,20,23H2,1-2H3 |
| InChIKey | CEZDGMOJTFOHSE-UHFFFAOYSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XDvMtt0qdR |
|---|---|
| Name | Methyl octadecyl phthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.323959893 u |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-27(29)25-22-19-18-21-24(25)26(28)30-2/h18-19,21-22H,3-17,20,23H2,1-2H3 |
| InChIKey | CEZDGMOJTFOHSE-UHFFFAOYSA-N |
| Molecular Weight | 432.645 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OC |