| SpectraBase Compound ID | J5AHoX5smkW |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-15(4)13-23-19(21)17-10-6-9-16(12-17)18(20)22-11-7-8-14(2)3/h6,9-10,12,14-15H,5,7-8,11,13H2,1-4H3 |
| InChIKey | BPRICPALKQFPBV-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2N71EGpQRPL |
|---|---|
| Name | Isophthalic acid, isohexyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-15(4)13-23-19(21)17-10-6-9-16(12-17)18(20)22-11-7-8-14(2)3/h6,9-10,12,14-15H,5,7-8,11,13H2,1-4H3 |
| InChIKey | BPRICPALKQFPBV-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CC(C)CCCOC(C=1C=C(C(OCC(CC)C)=O)C=CC1)=O |