| SpectraBase Compound ID | Lrp2yODup1W |
|---|---|
| InChI | InChI=1S/C12H16O5/c1-6(13)17-10-4-7-3-8(14)5-9(7)11(10)12(15)16-2/h7,9-11H,3-5H2,1-2H3/t7-,9-,10+,11+/m0/s1 |
| InChIKey | VBKYYYCPQJVNAB-CPOMMVLXSA-N |
| Mol Weight | 240.25 g/mol |
| Molecular Formula | C12H16O5 |
| Exact Mass | 240.099774 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FjbQ8TAIsPY |
|---|---|
| Name | (1R,2R,3aR,6aS)-2-acetoxy-5-keto-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O5 |
| InChI | InChI=1S/C12H16O5/c1-6(13)17-10-4-7-3-8(14)5-9(7)11(10)12(15)16-2/h7,9-11H,3-5H2,1-2H3/t7-,9-,10+,11+/m0/s1 |
| InChIKey | VBKYYYCPQJVNAB-CPOMMVLXSA-N |
| Molecular Weight | 240.255 g/mol |
| SMILES | [C@@]1([C@@]2([C@](CC(C2)=O)([H])C[C@]1(OC(=O)C)[H])[H])(C(=O)OC)[H] |
| SPLASH | splash10-0002-0900000000-6a7167b4edc8d7bf8616 |
| Source of Spectrum | QC-9-164-7 |
| Synonyms | (1R,2R,3aR,6aS)-2-acetyloxy-5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carboxylic acid methyl ester Methyl (1R,2R,3aR,6aS)-2-acetoxy-5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carboxylate Methyl (1R,2R,3aR,6aS)-2-acetyloxy-5-oxidanylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carboxylate Methyl (1R,2R,3aR,6aS)-2-acetyloxy-5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carboxylate |
| Wiley ID | 870387 |