| SpectraBase Compound ID | Gem50zRa01O |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h6-9H,2-5H2,1H3,(H,14,15)/t7-,8+,9+/m1/s1 |
| InChIKey | ONMAUQRMJXNSCG-VGMNWLOBSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CxLOAdILReo |
|---|---|
| Name | (3aS,6R,7aS)-6-ethyl-1-keto-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid |
| CAS Registry Number | 62251-98-3 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h6-9H,2-5H2,1H3,(H,14,15)/t7-,8+,9+/m1/s1 |
| InChIKey | ONMAUQRMJXNSCG-VGMNWLOBSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | OC(C=1[C@@]2([C@](C(=O)CC2)([H])C[C@](C1)(CC)[H])[H])=O |
| SPLASH | splash10-0a4i-0090000000-fb1857dc88942c3d9a27 |
| Source of Spectrum | F-53-9518-2 |
| Synonyms | (3aS,6R,7aS)-6-ethyl-1-oxidanylidene-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid (3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid Coronafacic acid 1H-indene-4-carboxylic acid, 6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-, (3aS,6R,7aS)- 1H-indene-4-carboxylic acid, 6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-, (3aS-(3alpha,6beta,7aalpha))- 6-Ethyl-2,3,3aS,6R,7,7aS-hexahydro-1-oxo-1H-indene-4-carboxylic acid |
| Wiley ID | 802873 |