| SpectraBase Compound ID | 8D4vIt8G9hB |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-5-8-11-19-15(17)13-9-6-7-10-14(13)16(18)20-12(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3 |
| InChIKey | XADBGAAWCHYLPD-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AQMmBTVSVGQ |
|---|---|
| Name | Phthalic acid, isoporpyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-4-5-8-11-19-15(17)13-9-6-7-10-14(13)16(18)20-12(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3 |
| InChIKey | XADBGAAWCHYLPD-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1(=CC=CC=C1C(OC(C)C)=O)C(=O)OCCCCC |