| SpectraBase Compound ID | 1rg2Obokdcb |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-12-15-22-18(20)13-14-19(21)23-16-17(2)3/h11-14,17H,4-10,15-16H2,1-3H3/b12-11+,14-13+ |
| InChIKey | QWABFXSSMKWOFJ-LDHFCIDVSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6esETtx6tIl |
|---|---|
| Name | Fumaric acid, isobutyl undec-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-12-15-22-18(20)13-14-19(21)23-16-17(2)3/h11-14,17H,4-10,15-16H2,1-3H3/b12-11+,14-13+ |
| InChIKey | QWABFXSSMKWOFJ-LDHFCIDVSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(CCCC\C=C\COC(\C=C\C(OCC(C)C)=O)=O)CCC |