| SpectraBase Spectrum ID |
4d0zgQJTX1h |
| Name |
4-Isobenzofurancarboxylic acid, 1,3,3a,4,5,7a-hexahydro-3-oxo-5-[(1-oxo-3-phenyl-2-propenyl)oxy]-, ethyl ester, (3a.alpha.,4.alpha.,5.alpha.,7a.beta.)-(.+-.)- |
| Alternate Name(s) |
(3a.alpha.,4.alpha.,5.alpha.,7a.beta.)-5-(cinnamoyloxy)-1,3,3a,4,5,7a-hexahydro-3-oxo-4-isobenzofurancarboxylic acid ethyl ester
ethyl (3aR,4S,5R,7aS)-3-oxo-5-{[(2E)-3-phenyl-2-propenoyl]oxy}-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carboxylate |
| CAS Registry Number |
114132-97-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20O6 |
| InChI |
InChI=1S/C20H20O6/c1-2-24-20(23)18-15(10-9-14-12-25-19(22)17(14)18)26-16(21)11-8-13-6-4-3-5-7-13/h3-11,14-15,17-18H,2,12H2,1H3/b11-8+/t14-,15-,17-,18-/m1/s1 |
| InChIKey |
ZEOXQUZDXNHLPI-AWAUDWRISA-N |
| Molecular Weight |
356.374 g/mol |
| SMILES |
[C@@]1([C@@](C=C[C@]2([C@]1(C(OC2)=O)[H])[H])(OC(\C=C\c1ccccc1)=O)[H])(C(=O)OCC)[H] |
| SPLASH |
splash10-001i-0900000000-41942af8faf3f7f1c960 |
| Source of Spectrum |
J-53-1869-14 |
| Wiley ID |
1345810 |
![4-Isobenzofurancarboxylic acid, 1,3,3a,4,5,7a-hexahydro-3-oxo-5-[(1-oxo-3-phenyl-2-propenyl)oxy]-, ethyl ester, (3a.alpha.,4.alpha.,5.alpha.,7a.beta.)-(.+-.)-](/api/spectrum/4d0zgQJTX1h/structure.png?h=300&w=458 "4-Isobenzofurancarboxylic acid, 1,3,3a,4,5,7a-hexahydro-3-oxo-5-[(1-oxo-3-phenyl-2-propenyl)oxy]-, ethyl ester, (3a.alpha.,4.alpha.,5.alpha.,7a.beta.)-(.+-.)-")
