| SpectraBase Spectrum ID |
1fLZ3ZDn4gY |
| Name |
4-Isobenzofurancarboxylic acid, 1,3,3a,4,5,7a-hexahydro-3-oxo-5-[(1-oxo-3-phenyl-2-propenyl)oxy]-, methyl ester, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)- |
| Alternate Name(s) |
(3a.alpha.,4.beta.,5.beta.,7a.alpha.)-5-(cinnamoyloxy)-1,3,3a,4,5,7a-hexahydro-3-oxo-4-isobenzofurancarboxylic acid methyl ester
methyl (3aR,4R,5S,7aR)-3-oxo-5-{[(2E)-3-phenyl-2-propenoyl]oxy}-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carboxylate |
| CAS Registry Number |
114133-14-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H18O6 |
| InChI |
InChI=1S/C19H18O6/c1-23-18(21)17-14(9-8-13-11-24-19(22)16(13)17)25-15(20)10-7-12-5-3-2-4-6-12/h2-10,13-14,16-17H,11H2,1H3/b10-7+/t13-,14-,16+,17-/m0/s1 |
| InChIKey |
JUQITPTWLPXTNG-AMLNDBHRSA-N |
| Molecular Weight |
342.347 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)OC)[H] |
| SPLASH |
splash10-001i-0901000000-d472a8b62c7be918ae2c |
| Source of Spectrum |
J-53-1870-30 |
| Wiley ID |
1336528 |
![4-Isobenzofurancarboxylic acid, 1,3,3a,4,5,7a-hexahydro-3-oxo-5-[(1-oxo-3-phenyl-2-propenyl)oxy]-, methyl ester, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-](/api/spectrum/1fLZ3ZDn4gY/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]-, methyl ester, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-")
