![Methyl 9-oxobicyclo[5.3.0]decane-8-carboxylate isomer](/api/spectrum/5NI4gya4u/structure.png?h=300&w=458 "Methyl 9-oxobicyclo[5.3.0]decane-8-carboxylate isomer")
| SpectraBase Compound ID | 7fLTDCHfXqY |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-15-12(14)11-9-6-4-2-3-5-8(9)7-10(11)13/h8-9,11H,2-7H2,1H3/t8-,9+,11-/m1/s1 |
| InChIKey | IJRVSXNCHYGLOE-WCABBAIRSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5NI4gya4u |
|---|---|
| Name | Methyl 9-oxobicyclo[5.3.0]decane-8-carboxylate isomer |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-15-12(14)11-9-6-4-2-3-5-8(9)7-10(11)13/h8-9,11H,2-7H2,1H3/t8-,9+,11-/m1/s1 |
| InChIKey | IJRVSXNCHYGLOE-WCABBAIRSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | [C@]1(C(C[C@@]2([C@@]1(CCCCC2)[H])[H])=O)(C(=O)OC)[H] |
| SPLASH | splash10-0bt9-0980000000-c9b8a4f29c89ee616907 |
| Source of Spectrum | Y1-45-1498-11 |
| Synonyms | (1R,3aR,8aS)-2-oxo-3,3a,4,5,6,7,8,8a-octahydro-1H-azulene-1-carboxylic acid methyl ester methyl (1R,3aR,8aS)-2-oxo-3,3a,4,5,6,7,8,8a-octahydro-1H-azulene-1-carboxylate methyl (1R,3aR,8aS)-2-oxidanylidene-3,3a,4,5,6,7,8,8a-octahydro-1H-azulene-1-carboxylate |
| Wiley ID | 1621883 |