| SpectraBase Spectrum ID |
6CsUslLQA9M |
| Name |
4-Isobenzofurancarboxylic acid, 5-[(ethoxycarbonyl)oxy]-1,3,3a,4,5,7a-hexahydro-3-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)- |
| CAS Registry Number |
114132-94-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O7 |
| InChI |
InChI=1S/C12H14O7/c1-2-17-12(16)19-7-4-3-6-5-18-11(15)8(6)9(7)10(13)14/h3-4,6-9H,2,5H2,1H3,(H,13,14)/t6-,7-,8+,9-/m0/s1 |
| InChIKey |
DMHTWKNQGMEUHK-MAUMQABQSA-N |
| Molecular Weight |
270.237 g/mol |
| SMILES |
OC([C@]1([C@](C=C[C@@]2([C@]1(C(OC2)=O)[H])[H])(OC(=O)OCC)[H])[H])=O |
| SPLASH |
splash10-0006-9000000000-e7b2cc9f6bf64ddbfbb3 |
| Source of Spectrum |
J-53-1868-12 |
| Synonyms |
(3a.alpha.,4.beta.,5.beta.,7a.alpha.)-5-[(ethoxycarbonyl)oxy]-1,3,3a,5,7a-hexahydro-3-oxo-4-isobenzofurancarboxylic acid
(3aR,4R,5S,7aR)-5-[(ethoxycarbonyl)oxy]-3-oxo-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carboxylic acid |
| Wiley ID |
1273749 |
![4-Isobenzofurancarboxylic acid, 5-[(ethoxycarbonyl)oxy]-1,3,3a,4,5,7a-hexahydro-3-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-](/api/spectrum/6CsUslLQA9M/structure.png?h=300&w=458 "4-Isobenzofurancarboxylic acid, 5-[(ethoxycarbonyl)oxy]-1,3,3a,4,5,7a-hexahydro-3-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-")
