| SpectraBase Compound ID | 4Gx5cfwwl1d |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-5,7,9,12H,6H2,1H3/b3-2+,5-4-/t7-,9-/m1/s1 |
| InChIKey | JWBPDRMVPZPOHO-RQBIMOGRSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LADHpQVaT1P |
|---|---|
| Name | (+-)-Pyrenolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H12O4 |
| InChI | InChI=1S/C10H12O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-5,7,9,12H,6H2,1H3/b3-2+,5-4-/t7-,9-/m1/s1 |
| InChIKey | JWBPDRMVPZPOHO-RQBIMOGRSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | O[C@]1(C[C@](OC(\C=C/C(\C=C\1)=O)=O)(C)[H])[H] |
| SPLASH | splash10-003r-8900000000-78f295b1d9f1cfbcc9b7 |
| Source of Spectrum | F-48-8211-3 |
| Synonyms | (3Z,6E)-(8S,10R)-8-Hydroxy-10-methyl-9,10-dihydro-8H-oxecine-2,5-dione (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecin-7,10-dione (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione (2R,4S,5E,8Z)-2-methyl-4-oxidanyl-3,4-dihydro-2H-oxecine-7,10-dione |
| Wiley ID | 1192879 |