| SpectraBase Compound ID | EE3kfjYMtGM |
|---|---|
| InChI | InChI=1S/C12H14O6/c1-2-17-12-9-6(3-4-7(9)10(13)14)8(5-18-12)11(15)16/h4-6,9,12H,2-3H2,1H3,(H,13,14)(H,15,16)/t6-,9+,12-/m1/s1 |
| InChIKey | WWRWHCABBGNGCZ-PUQNFTFYSA-N |
| Mol Weight | 254.24 g/mol |
| Molecular Formula | C12H14O6 |
| Exact Mass | 254.079038 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | a8coUxjxBe |
|---|---|
| Name | Tarennin |
| Appearance | Amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O6 |
| InChI | InChI=1S/C12H14O6/c1-2-17-12-9-6(3-4-7(9)10(13)14)8(5-18-12)11(15)16/h4-6,9,12H,2-3H2,1H3,(H,13,14)(H,15,16)/t6-,9+,12-/m1/s1 |
| InChIKey | WWRWHCABBGNGCZ-PUQNFTFYSA-N |
| Instrument Name | VG Auto Spec 3000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0600301 |
| Molecular Weight | 254.238 g/mol |
| Optical Rotation | [a]D23 = +87.2 (c = 0.45, CH3OH) |
| Reported Formula | C12H14O6 |
| SMILES | OC(C=1[C@]2([C@@](OC=C(C(=O)O)[C@]2(CC1)[H])(OCC)[H])[H])=O |
| SPLASH | splash10-05w3-2950000000-6550bbd3fcb6046e70ea |
| Source of Spectrum | G4-69-973-1 |
| Wiley ID | 1874181 |