| SpectraBase Compound ID | 5Ql55eX9QNe |
|---|---|
| InChI | InChI=1S/C18H19ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5-6,8,10-11,21-22H,2,4,7,9H2,1H3/b5-3+,8-6+/t11-/m0/s1 |
| InChIKey | FJVQHTGEXYKKBS-QGSHSPQNSA-N |
| Mol Weight | 350.8 g/mol |
| Molecular Formula | C18H19ClO5 |
| Exact Mass | 350.092101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1daSYxMTN0o |
|---|---|
| Name | Pochonin D |
| Appearance | Brownish oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H19ClO5 |
| InChI | InChI=1S/C18H19ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5-6,8,10-11,21-22H,2,4,7,9H2,1H3/b5-3+,8-6+/t11-/m0/s1 |
| InChIKey | FJVQHTGEXYKKBS-QGSHSPQNSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020556v |
| Molecular Weight | 350.798 g/mol |
| Reported Formula | C18H19ClO5 |
| SMILES | Oc1c(c2c(c(c1)O)C(O[C@](C\C=C\CC\C=C\C(C2)=O)(C)[H])=O)Cl |
| SPLASH | splash10-001i-9413000000-58834711dd1c5e0b3709 |
| Source of Spectrum | G4-66-835-7 |
| Wiley ID | 1881422 |