| SpectraBase Compound ID | 1JcXHdNX0dL |
|---|---|
| InChI | InChI=1S/C14H19Cl6NO3/c1-8(13(15,16)17)5-4-6-11(22)21(3)10(12(23)24)7-9(2)14(18,19)20/h4,6,8-10H,5,7H2,1-3H3,(H,23,24)/b6-4+/t8-,9-,10-/m0/s1 |
| InChIKey | FYSJFLMSVGZPJE-ZNSGJFPESA-N |
| Mol Weight | 462.0 g/mol |
| Molecular Formula | C14H19Cl6NO3 |
| Exact Mass | 458.94961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9m5u76ZQEsx |
|---|---|
| Name | HERBACIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H19Cl6NO3 |
| InChI | InChI=1S/C14H19Cl6NO3/c1-8(13(15,16)17)5-4-6-11(22)21(3)10(12(23)24)7-9(2)14(18,19)20/h4,6,8-10H,5,7H2,1-3H3,(H,23,24)/b6-4+/t8-,9-,10-/m0/s1 |
| InChIKey | FYSJFLMSVGZPJE-ZNSGJFPESA-N |
| Literature Reference Author | J.B.MACMILLAN,T.F.MOLINSKI |
| Literature Reference Citation | J.NAT.PROD.,63,155(2000) |
| Literature Reference DOI | 10.1021/np990468j |
| Molecular Weight | 462.028 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS24180 |