| SpectraBase Spectrum ID |
CPDVbnUa2BK |
| Name |
1(3H)-Isobenzofuranone, hexahydro-7,7-dimethyl-, trans-(.+-.)- |
| Alternate Name(s) |
(3aS,7aR)-7,7-dimethylhexahydro-2-benzofuran-1(3H)-one
trans-7,7-dimethyl-3a,4,5,6,7,7a-hexahydro-1(3H)-isobenzofuranone |
| CAS Registry Number |
122203-68-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H16O2 |
| InChI |
InChI=1S/C10H16O2/c1-10(2)5-3-4-7-6-12-9(11)8(7)10/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1 |
| InChIKey |
IHLMBUUAYFGLGS-SFYZADRCSA-N |
| Molecular Weight |
168.236 g/mol |
| SMILES |
C1(OC[C@@]2([C@@]1(C(CCC2)(C)C)[H])[H])=O |
| SPLASH |
splash10-0api-9600000000-9f80ae7cdee33c8881b6 |
| Source of Spectrum |
H-71-1594-0 |
| Wiley ID |
1164840 |
