| SpectraBase Compound ID | 5WYyQ40Krov |
|---|---|
| InChI | InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3 |
| InChIKey | LSNUUAUXWJZSFD-UHFFFAOYSA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C8H12O5 |
| Exact Mass | 188.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKe5Y0Rk6LN |
|---|---|
| Name | 4-Epishikimic acid, methyl ester |
| CAS Registry Number | 4372-89-8 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H12O5 |
| InChI | InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3 |
| InChIKey | LSNUUAUXWJZSFD-UHFFFAOYSA-N |
| Literature Reference | M.M. Campbell, A.D. Kaye, Tetrahedron 40, 2461 (1984). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |