| SpectraBase Spectrum ID |
5rxSf1cJDzQ |
| Name |
(3aS,4R,7aS)-3-keto-6-methylol-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14O5 |
| InChI |
InChI=1S/C11H14O5/c1-15-10(13)8-3-6(4-12)2-7-5-16-11(14)9(7)8/h2,7-9,12H,3-5H2,1H3/t7-,8-,9+/m1/s1 |
| InChIKey |
OBHXROAEPYFADD-HLTSFMKQSA-N |
| Molecular Weight |
226.228 g/mol |
| SMILES |
OCC=1C[C@]([C@@]2([C@](C1)(COC2=O)[H])[H])(C(=O)OC)[H] |
| SPLASH |
splash10-00e9-0910000000-1c92c436a42a897a5859 |
| Source of Spectrum |
U1-2003-4067-2 |
| Synonyms |
(3aS,4R,7aS)-6-(hydroxymethyl)-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester
Methyl (3aS,4R,7aS)-6-(hydroxymethyl)-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate
Methyl (3aS,4R,7aS)-6-(hydroxymethyl)-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate
Methyl (3aS,4R,7aS)-6-(hydroxymethyl)-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate |
| Wiley ID |
1523863 |
