| SpectraBase Spectrum ID |
KEvZubXUTG1 |
| Name |
1-Adamantanecarboxylic acid, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-9(2)16-13(15)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12H,3-8H2,1-2H3/t10-,11+,12-,14- |
| InChIKey |
PHSXMXGYVSYRPF-XDCQQTESSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])C(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964723 |
