| SpectraBase Spectrum ID |
1QkxopboBIP |
| Name |
Acetic acid, 4A-methyl-2,3,4,4A,5,6,7,8-octahydronaphthalen-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-10(14)15-12-6-8-13(2)7-4-3-5-11(13)9-12/h9,12H,3-8H2,1-2H3 |
| InChIKey |
BICPHIIHGNNJJR-UHFFFAOYSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
C1C2=CC(OC(C)=O)CCC2(C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858562 |
