| SpectraBase Compound ID | Gf0RbiJvZvq |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8+ |
| InChIKey | IQVQXVFMNOFTMU-DHZHZOJOSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jx79E4eZvQ |
|---|---|
| Name | Ligustilide |
| CAS Registry Number | 4431-01-0 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8+ |
| InChIKey | IQVQXVFMNOFTMU-DHZHZOJOSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | Phytochem. 23, 2033 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |