| SpectraBase Spectrum ID |
8mIV8I1GPA4 |
| Name |
1,3-Dimethyladamantan-5,7-dicarboxylic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.198759378 u |
| Formula |
C18H28O4 |
| InChI |
InChI=1S/C18H28O4/c1-5-21-13(19)17-8-15(3)7-16(4,9-17)11-18(10-15,12-17)14(20)22-6-2/h5-12H2,1-4H3/t15-,16+,17+,18- |
| InChIKey |
GWJNMNFOUZBEPB-FZDBZEDMSA-N |
| Molecular Weight |
308.418 g/mol |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(C[C@@](C1)(C(OCC)=O)C3)C(=O)OCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852602 |
