| SpectraBase Compound ID | IcByxYcsEf8 |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-7-10-4-3-9(6-15-8(2)13)11(10)5-12(7)14/h3-4,6-7,10-11H,5H2,1-2H3/b9-6+/t7-,10-,11-/m0/s1 |
| InChIKey | JILAMCRYOBRSAW-GNFGPIDPSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CifY2zGqBr4 |
|---|---|
| Name | (3aR*,4S*,6aR*)-Acetic acid (4-methyl-5-oxo-3a,5,6,6a-tetrahydro-4H-pentalen-1-ylidene)methyl ester |
| Alternate Name(s) | (3aR*,4S*,6aR*)-Acetic acid (4-methyl-5-oxo-3a,5,6,6a-tetrahydro-4H-pentalen-1-ylidenr)methyl ester (E)-((3aR,4S,6aR)-4-methyl-5-oxo-4,5,6,6a-tetrahydro-1(3aH)-pentalenylidene)methyl acetate acetic acid[(E)-[(3aR,4S,6aR)-4-methyl-5-oxo-3a,4,6,6a-tetrahydropentalen-1-ylidene]methyl]ester acetic acid[(E)-[(3aR,4S,6aR)-5-keto-4-methyl-3a,4,6,6a-tetrahydropentalen-1-ylidene]methyl]ester [(E)-[(3aR,4S,6aR)-4-methyl-5-oxidanylidene-3a,4,6,6a-tetrahydropentalen-1-ylidene]methyl]ethanoate [(E)-[(3aR,4S,6aR)-4-methyl-5-oxo-3a,4,6,6a-tetrahydropentalen-1-ylidene]methyl]acetate acetic acid [(E)-[(3aR,4S,6aR)-4-methyl-5-oxo-3a,4,6,6a-tetrahydropentalen-1-ylidene]methyl] ester [(E)-[(3aR,4S,6aR)-4-methyl-5-oxo-3a,4,6,6a-tetrahydropentalen-1-ylidene]methyl] acetate [(E)-[(3aR,4S,6aR)-4-methyl-5-oxidanylidene-3a,4,6,6a-tetrahydropentalen-1-ylidene]methyl] ethanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-7-10-4-3-9(6-15-8(2)13)11(10)5-12(7)14/h3-4,6-7,10-11H,5H2,1-2H3/b9-6+/t7-,10-,11-/m0/s1 |
| InChIKey | JILAMCRYOBRSAW-GNFGPIDPSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | [C@]12([C@](\C(=C\OC(=O)C)C=C2)(CC([C@]1(C)[H])=O)[H])[H] |
| SPLASH | splash10-0udi-0900000000-a4e309aca2e06efe0fb1 |
| Source of Spectrum | J-64-661-11 |
| Wiley ID | 1529196 |