| SpectraBase Compound ID | LUZx7iT9EZi |
|---|---|
| InChI | InChI=1S/C21H28O5/c1-15(2)7-6-8-16(3)11-12-26-21-18(24-4)13-17(9-10-20(22)23)14-19(21)25-5/h7,9-11,13-14H,6,8,12H2,1-5H3,(H,22,23)/b10-9?,16-11+ |
| InChIKey | VFVMLGULLMPLQT-RDIMZQPXSA-N |
| Mol Weight | 360.45 g/mol |
| Molecular Formula | C21H28O5 |
| Exact Mass | 360.193674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CkMKZzr2t3v |
|---|---|
| Name | 4-Geranoylsinapic Acid |
| Appearance | gum |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O5 |
| InChI | InChI=1S/C21H28O5/c1-15(2)7-6-8-16(3)11-12-26-21-18(24-4)13-17(9-10-20(22)23)14-19(21)25-5/h7,9-11,13-14H,6,8,12H2,1-5H3,(H,22,23)/b10-9?,16-11+ |
| InChIKey | VFVMLGULLMPLQT-RDIMZQPXSA-N |
| Instrument Name | VG Auto Spec-3000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0200257 |
| Molecular Weight | 360.450 g/mol |
| Reported Formula | C21H28O5 |
| SMILES | OC(C=Cc1cc(c(c(c1)OC)OC\C=C\(CCC=C(C)C)C)OC)=O |
| SPLASH | splash10-00di-1291000000-ea85908db3005baeb460 |
| Source of Spectrum | G4-65-906-18 |
| Wiley ID | 1883723 |