| SpectraBase Compound ID | LgKVY38KuXb |
|---|---|
| InChI | InChI=1S/C20H26O5/c1-12-3-6-20-11-25-18(23)15(20)8-14(21)9-16(20)19(12,2)5-4-13-7-17(22)24-10-13/h7-8,12,14,16,21H,3-6,9-11H2,1-2H3/t12-,14-,16?,19+,20-/m1/s1 |
| InChIKey | CIYUVACHWWSUHM-IRPJMDMISA-N |
| Mol Weight | 346.42 g/mol |
| Molecular Formula | C20H26O5 |
| Exact Mass | 346.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4dOq5aGU0MN |
|---|---|
| Name | Articulin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O5 |
| InChI | InChI=1S/C20H26O5/c1-12-3-6-20-11-25-18(23)15(20)8-14(21)9-16(20)19(12,2)5-4-13-7-17(22)24-10-13/h7-8,12,14,16,21H,3-6,9-11H2,1-2H3/t12-,14-,16?,19+,20-/m1/s1 |
| InChIKey | CIYUVACHWWSUHM-IRPJMDMISA-N |
| Molecular Weight | 346.423 g/mol |
| SMILES | O[C@]1(CC2[C@]3(C(C(=O)OC3)=C1)CC[C@@](C)([C@@]2(CCC1=CC(=O)OC1)C)[H])[H] |
| SPLASH | splash10-03dj-0921000000-a431bed402f4db553a6f |
| Source of Spectrum | X2-57-806-6 |
| Wiley ID | 1605457 |