| SpectraBase Compound ID | h9vknLKNtM |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-4-15-12(14)11-9(2)16-13(3)8-6-5-7-10(11)13/h10H,4-8H2,1-3H3/t10-,13-/m0/s1 |
| InChIKey | XPSXJCCJWKZCHO-GWCFXTLKSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ASltGmXnTrd |
|---|---|
| Name | 2,7a-Dimethyl-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylic acid ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-4-15-12(14)11-9(2)16-13(3)8-6-5-7-10(11)13/h10H,4-8H2,1-3H3/t10-,13-/m0/s1 |
| InChIKey | XPSXJCCJWKZCHO-GWCFXTLKSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C1(=C(O[C@@]2([C@]1(CCCC2)[H])C)C)C(=O)OCC |
| SPLASH | splash10-000f-5910000000-3a8f3ecab5ecdbb706a6 |
| Source of Spectrum | KC-0-1491-21 |
| Synonyms | (3aS,7aS)-2,7a-Dimethyl-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylic acid ethyl ester Ethyl 2,7a-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate Ethyl (3aS,7aS)-2,7a-dimethyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-carboxylate Ethyl (3aS,7aS)-2,7a-dimethyl-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-carboxylate |
| Wiley ID | 786046 |