| SpectraBase Compound ID | EGaMq20APMo |
|---|---|
| InChI | InChI=1S/C26H46O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h3-22H2,1-2H3 |
| InChIKey | XWZIQCUSXWSRNB-UHFFFAOYSA-N |
| Mol Weight | 422.7 g/mol |
| Molecular Formula | C26H46O4 |
| Exact Mass | 422.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CAkbZ15KNDh |
|---|---|
| Name | Dinonyl 3,4,5,6-tetrahydrophthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.339609957 u |
| Formula | C26H46O4 |
| InChI | InChI=1S/C26H46O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h3-22H2,1-2H3 |
| InChIKey | XWZIQCUSXWSRNB-UHFFFAOYSA-N |
| Molecular Weight | 422.650 g/mol |
| SMILES | C1(=C(C(=O)OCCCCCCCCC)CCCC1)C(=O)OCCCCCCCCC |