| SpectraBase Spectrum ID |
JpxppVOMIbJ |
| Name |
Glutaric acid, 2-(adamant-1-yl)ethyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.214409442 u |
| Formula |
C19H30O4 |
| InChI |
InChI=1S/C19H30O4/c1-2-22-17(20)4-3-5-18(21)23-7-6-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,2-13H2,1H3/t14-,15+,16-,19+ |
| InChIKey |
NPXUJMOSPADRMB-IAKCYEPBSA-N |
| Molecular Weight |
322.445 g/mol |
| SMILES |
C(CCC(OCC)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990003 |
