| SpectraBase Compound ID | D0qzlHHqRdk |
|---|---|
| InChI | InChI=1S/C19H22O4/c1-11-7-14(20)8-16-15(11)4-3-12(2)19(16)9-17(23-18(19)21)13-5-6-22-10-13/h5-7,10,12,15-17H,3-4,8-9H2,1-2H3/t12-,15+,16+,17-,19-/m1/s1 |
| InChIKey | PHTWCRQCDPNVLQ-WCARXYILSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C19H22O4 |
| Exact Mass | 314.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RjbxqENl2B |
|---|---|
| Name | TRANS-DEHYDROCROTONIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H22O4 |
| InChI | InChI=1S/C19H22O4/c1-11-7-14(20)8-16-15(11)4-3-12(2)19(16)9-17(23-18(19)21)13-5-6-22-10-13/h5-7,10,12,15-17H,3-4,8-9H2,1-2H3/t12-,15+,16+,17-,19-/m1/s1 |
| InChIKey | PHTWCRQCDPNVLQ-WCARXYILSA-N |
| Literature Reference Author | I.KUBO,Y.ASAKA,K.SHIBATA |
| Literature Reference Citation | PHYTOCHEM.,30,2545(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)85096-I |
| Molecular Weight | 314.381 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI25304 |