| SpectraBase Compound ID | 3ghKHEqjc2C |
|---|---|
| InChI | InChI=1S/C18H18O5/c1-18(17(22)23)7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)21/h2-5,8,15,19H,6-7,9H2,1H3,(H,20,21)(H,22,23)/t15-,18+/m1/s1 |
| InChIKey | OGNZKXAFMDAGLW-QAPCUYQASA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C18H18O5 |
| Exact Mass | 314.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4emfAxysrgt |
|---|---|
| Name | BIS-DEHYDRO-ISOMARRIANOLIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H18O5 |
| InChI | InChI=1S/C18H18O5/c1-18(17(22)23)7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)21/h2-5,8,15,19H,6-7,9H2,1H3,(H,20,21)(H,22,23)/t15-,18+/m1/s1 |
| InChIKey | OGNZKXAFMDAGLW-QAPCUYQASA-N |
| Literature Reference Author | P.CHOPPINET,L.JULLIEN,B.VALEUR |
| Literature Reference Citation | CHEM.EUR.J.,5,3666(1999) |
| Literature Reference DOI | 10.1002/(sici)1521-3765(19991203)5:12<3666::aid-chem3666>3.0.co;2-2 |
| Molecular Weight | 314.338 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP7238 |