| SpectraBase Spectrum ID |
3WagRwL1qQ5 |
| Name |
Cyclohexanecarboxylic acid, 2-(1,3,4,5,6,7-hexahydro-3-oxo-1-isobenzofuranyl)-, [1.alpha.,2.beta.(S*)]- |
| CAS Registry Number |
100419-22-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c16-14(17)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)15(18)19-13/h9,11,13H,1-8H2,(H,16,17)/t9-,11+,13+/m1/s1 |
| InChIKey |
USDRFTXBUMHEHD-CDMKHQONSA-N |
| Molecular Weight |
264.321 g/mol |
| SMILES |
OC([C@@]1([C@]([C@@]2(OC(=O)C3=C2CCCC3)[H])(CCCC1)[H])[H])=O |
| SPLASH |
splash10-053j-3960000000-c17cb5f06ace7c38eb7e |
| Source of Spectrum |
K-118-3417-12 |
| Synonyms |
(1S,2R)-2-[(1S)-3-oxo-1,3,4,5,6,7-hexahydro-2-benzofuran-1-yl]cyclohexanecarboxylic acid
2-(1,3,4,5,6,7-Hexahydro-1-isobenzofuranyl)-cyclohexylcarbonic acid |
| Wiley ID |
1268000 |
![Cyclohexanecarboxylic acid, 2-(1,3,4,5,6,7-hexahydro-3-oxo-1-isobenzofuranyl)-, [1.alpha.,2.beta.(S*)]-](/api/spectrum/3WagRwL1qQ5/structure.png?h=300&w=458 "Cyclohexanecarboxylic acid, 2-(1,3,4,5,6,7-hexahydro-3-oxo-1-isobenzofuranyl)-, [1.alpha.,2.beta.(S*)]-")
