| SpectraBase Spectrum ID |
49oU2KkIjeI |
| Name |
Adipic acid, 2-(1-adamantyl)ethyl ethyl 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/c1-2-23-18(21)5-3-4-6-19(22)24-8-7-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,2-14H2,1H3/t15-,16+,17-,20+ |
| InChIKey |
ZQIPIJVJJSJQDR-FRIOTGHOSA-N |
| Molecular Weight |
336.472 g/mol |
| SMILES |
C(=O)(CCCCC(OCC)=O)OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984719 |
