| SpectraBase Compound ID | DjXmqOAcolm |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-4-5-8-13-21-17(19)11-12-18(20)23-16-10-7-6-9-15(16)22-14(2)3/h6-7,9-12,14H,4-5,8,13H2,1-3H3/b12-11+ |
| InChIKey | KLRXHKCHABUZJV-VAWYXSNFSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C18H24O5 |
| Exact Mass | 320.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | djIFlClrfI |
|---|---|
| Name | Fumaric acid, 2-isopropoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.162373868 u |
| Formula | C18H24O5 |
| InChI | InChI=1S/C18H24O5/c1-4-5-8-13-21-17(19)11-12-18(20)23-16-10-7-6-9-15(16)22-14(2)3/h6-7,9-12,14H,4-5,8,13H2,1-3H3/b12-11+ |
| InChIKey | KLRXHKCHABUZJV-VAWYXSNFSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC=C1)OC(C)C)=O)(OCCCCC)=O |