| SpectraBase Spectrum ID |
E6rdDM3d03C |
| Name |
1-Adamantanecarboxylic acid, 2-propenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-2-3-16-13(15)14-7-10-4-11(8-14)6-12(5-10)9-14/h2,10-12H,1,3-9H2/t10-,11+,12-,14- |
| InChIKey |
UJXSFEWFDCWVHX-XDCQQTESSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])C(OCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974276 |
