| SpectraBase Compound ID | DKBRBGkjJd9 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-17(6-2)23-19(21)16-11-7-10-15(13-16)18(20)22-12-8-9-14(3)4/h7,10-11,13-14,17H,5-6,8-9,12H2,1-4H3 |
| InChIKey | ZYEWQOYWLZSAIO-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 | 5mIWYtEdZyE |
|---|---|
| Name | Isophthalic acid, isohexyl 3-pentyl 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/c1-5-17(6-2)23-19(21)16-11-7-10-15(13-16)18(20)22-12-8-9-14(3)4/h7,10-11,13-14,17H,5-6,8-9,12H2,1-4H3 |
| InChIKey | ZYEWQOYWLZSAIO-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OC(CC)CC)=O)(OCCCC(C)C)=O |