| SpectraBase Spectrum ID |
IQJwb8cBE1r |
| Name |
1(3H)-Isobenzofuranone, hexahydro-3-(1-methylethyl)-, (3.alpha.,3a.alpha.,7a.beta.)- |
| CAS Registry Number |
103421-14-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-7(2)10-8-5-3-4-6-9(8)11(12)13-10/h7-10H,3-6H2,1-2H3/t8-,9-,10+/m0/s1 |
| InChIKey |
NBCBWVJFCHWGOZ-LPEHRKFASA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
C1(O[C@@]([C@]2(CCCC[C@]12[H])[H])(C(C)C)[H])=O |
| SPLASH |
splash10-000i-0900000000-4e413403f3dcd6561b16 |
| Source of Spectrum |
F-41-3702-15 |
| Synonyms |
3-isopropyl-3a,4,5,6,7,7a-hexahydro-(3H)-isobenzofuran-1-one
(3R,3aS,7aS)-3-isopropylhexahydro-2-benzofuran-1(3H)-one
trans (3,3a)-3-isopropyl-cis(3a,7a)-3a,4,5,7,7a(3) isobenzofuran-1-one |
| Wiley ID |
1178772 |
