| SpectraBase Compound ID | AdRbLTYHQGy |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-13(2)12-22-18(20)16-6-4-5-7-17(16)19(21)23-15-10-8-14(3)9-11-15/h4-7,13-15H,8-12H2,1-3H3 |
| InChIKey | HPDJWDJLPACYCO-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJmmHAAbFoF |
|---|---|
| Name | Isobutyl methylcyclohexyl phthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-13(2)12-22-18(20)16-6-4-5-7-17(16)19(21)23-15-10-8-14(3)9-11-15/h4-7,13-15H,8-12H2,1-3H3 |
| InChIKey | HPDJWDJLPACYCO-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(OC(C=1C=CC=CC1C(OC1CCC(CC1)C)=O)=O)C(C)C |