| SpectraBase Spectrum ID |
DS2BfgnyjHf |
| Name |
trans (3,3a)-3-cyclopentyl-cis(3a,7a)-3a,4,5,6,7,7a(3H-hexahydroisbenzofuran-1-one |
| Alternate Name(s) |
(3R,3aR,7aS)-3-cyclopentylhexahydro-2-benzofuran-1(3H)-one |
| CAS Registry Number |
97181-86-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c14-13-11-8-4-3-7-10(11)12(15-13)9-5-1-2-6-9/h9-12H,1-8H2/t10-,11+,12-/m1/s1 |
| InChIKey |
QDUWUSATGQCYRV-GRYCIOLGSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
C1(O[C@@]([C@@]2(CCCC[C@]12[H])[H])(C1CCCC1)[H])=O |
| SPLASH |
splash10-000i-0900000000-04a3a76f21d410afe96c |
| Source of Spectrum |
F-41-3703-16 |
| Wiley ID |
1207214 |
