| SpectraBase Spectrum ID |
CRpWmxKqDTp |
| Name |
Adipic acid, 2-adamantyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.230059506 u |
| Formula |
C20H32O4 |
| InChI |
InChI=1S/C20H32O4/c1-13(2)12-23-18(21)5-3-4-6-19(22)24-20-16-8-14-7-15(10-16)11-17(20)9-14/h13-17,20H,3-12H2,1-2H3/t14-,15+,16-,17+,20? |
| InChIKey |
ABSGBMWQDLBPRJ-YMSSVPQNSA-N |
| Molecular Weight |
336.472 g/mol |
| SMILES |
C(=O)(CCCCC(OCC(C)C)=O)OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838757 |
