| SpectraBase Spectrum ID |
3qWvBtN9TPa |
| Name |
4-Isobenzofurancarboxylic acid, 5-(benzoyloxy)-1,3,3a,4,5,7a-hexahydro-3-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)- |
| CAS Registry Number |
114132-91-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14O6 |
| InChI |
InChI=1S/C16H14O6/c17-14(18)13-11(7-6-10-8-21-16(20)12(10)13)22-15(19)9-4-2-1-3-5-9/h1-7,10-13H,8H2,(H,17,18)/t10-,11-,12+,13-/m0/s1 |
| InChIKey |
BPDDMDRHRAXOGZ-RVMXOQNASA-N |
| Molecular Weight |
302.282 g/mol |
| SMILES |
OC([C@]1([C@@](OC(=O)c2ccccc2)(C=C[C@@]2([C@]1(C(OC2)=O)[H])[H])[H])[H])=O |
| SPLASH |
splash10-0udi-0900000000-0b8a61dda90967f0c80a |
| Source of Spectrum |
J-53-1868-12 |
| Synonyms |
(3a.alpha.,4.beta.,5.beta.,7a.alpha.)-5-(benzoyloxy)-1,3,3a,5,7a-hexahydro-3-oxo-4-isobenzofurancarboxylic acid
(3aR,4R,5S,7aR)-5-(benzoyloxy)-3-oxo-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carboxylic acid |
| Wiley ID |
1304521 |
