| SpectraBase Spectrum ID |
3wnOv8MqXtz |
| Name |
1(3H)-Isobenzofuranone, 3a,4,7,7a-tetrahydro-3-(1-methylethyl)-, (3.alpha.,3a.beta.,7a.beta.)- |
| Alternate Name(s) |
(3R,3aR,7aS)-3-isopropyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
trans(3,3a)-3-isoprpoyl-cis(3a,7a)--3a,4,5,7,7a-(3H)hexahydroisobenzofuranone |
| CAS Registry Number |
103421-10-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H16O2 |
| InChI |
InChI=1S/C11H16O2/c1-7(2)10-8-5-3-4-6-9(8)11(12)13-10/h3-4,7-10H,5-6H2,1-2H3/t8-,9+,10-/m1/s1 |
| InChIKey |
XABOAKWKFSNYCB-KXUCPTDWSA-N |
| Molecular Weight |
180.247 g/mol |
| SMILES |
C1(O[C@@]([C@@]2(CC=CC[C@]12[H])[H])(C(C)C)[H])=O |
| SPLASH |
splash10-0002-0900000000-62bd206ea0bb3eef7f80 |
| Source of Spectrum |
F-41-3702-12 |
| Wiley ID |
1176536 |
