| SpectraBase Spectrum ID |
5m74Rpc9F2u |
| Name |
1,2-Cyclopentanediacetic acid, .alpha.,.alpha.'-diacetyl-4-oxo-, bis(1,1-dimethylethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.214803363 u |
| Formula |
C21H32O7 |
| InChI |
InChI=1S/C21H32O7/c1-11(22)16(18(25)27-20(3,4)5)14-9-13(24)10-15(14)17(12(2)23)19(26)28-21(6,7)8/h14-17H,9-10H2,1-8H3 |
| InChIKey |
UZNSBXUVBNKAQK-UHFFFAOYSA-N |
| Molecular Weight |
396.480 g/mol |
| SMILES |
C(C(C1C(C(C(OC(C)(C)C)=O)C(=O)C)CC(C1)=O)C(=O)C)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850892 |
