| SpectraBase Spectrum ID |
B5rstaT8EUT |
| Name |
(3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one |
| CAS Registry Number |
4567-33-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1 |
| InChIKey |
UPJFTVFLSIQQAV-KOLCDFICSA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
C1(C=2[C@](CCCC2)([H])[C@@](O1)(CCCC)[H])=O |
| SPLASH |
splash10-0a4i-2900000000-7ee19c9eddd6692af1f6 |
| Source of Spectrum |
C-107-4754-0 |
| Synonyms |
(3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one
1(3H)-isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, cis-(-)-
Neocnidilide |
| Wiley ID |
1191008 |
