| SpectraBase Spectrum ID |
6FzOTqkiOTY |
| Name |
4-Isobenzofurancarboxylic acid, 1,3,3a,4,5,7a-hexahydro-3-oxo-5-[(1-oxo-3-phenyl-2-propenyl)oxy]-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)- |
| Alternate Name(s) |
(3a.alpha.,4.beta.,5.beta.,7a.alpha.)-5-(cinnamoyloxy)-1,3,3a,5,7a-hexahydro-3-oxo-4-isobenzofurancarboxylic acid
(3aR,4R,5S,7aR)-3-oxo-5-{[(2E)-3-phenyl-2-propenoyl]oxy}-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carboxylic acid |
| CAS Registry Number |
114132-92-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16O6 |
| InChI |
InChI=1S/C18H16O6/c19-14(9-6-11-4-2-1-3-5-11)24-13-8-7-12-10-23-18(22)15(12)16(13)17(20)21/h1-9,12-13,15-16H,10H2,(H,20,21)/b9-6+/t12-,13-,15+,16-/m0/s1 |
| InChIKey |
FZBCDJTVLHLETG-UHVVVMJISA-N |
| Molecular Weight |
328.320 g/mol |
| SMILES |
OC([C@]1([C@](C=C[C@@]2([C@]1(C(OC2)=O)[H])[H])(OC(\C=C\c1ccccc1)=O)[H])[H])=O |
| SPLASH |
splash10-001i-0901000000-f894a51b45bb4c4a5af6 |
| Source of Spectrum |
J-53-1868-12 |
| Wiley ID |
1326225 |
![4-Isobenzofurancarboxylic acid, 1,3,3a,4,5,7a-hexahydro-3-oxo-5-[(1-oxo-3-phenyl-2-propenyl)oxy]-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-](/api/spectrum/6FzOTqkiOTY/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]-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-")
