| SpectraBase Spectrum ID |
3cvHvMcYRkk |
| Name |
Acetic acid, 6-acetoxyadamantan-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-7(15)17-13-9-3-11-5-10(13)6-12(4-9)14(11)18-8(2)16/h9-14H,3-6H2,1-2H3/t9-,10+,11-,12+,13-,14? |
| InChIKey |
CIMHXHZEADTXFJ-VDLCZYCISA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C(=O)(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3OC(=O)C)[H])[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904869 |
