SpectraBase Spectrum ID |
DF13VgcqnsF |
Name |
Acetic acid, 2-(tricyclo[3.3.1.1(3,7)]dec-1-ylmethoxy)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.141244501 u |
Formula |
C13H20O3 |
InChI |
InChI=1S/C13H20O3/c14-12(15)7-16-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H,14,15)/t9-,10+,11-,13- |
InChIKey |
UOEJXPRIUIDKDP-DNSLJTBWSA-N |
Molecular Weight |
224.300 g/mol |
SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])COCC(=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902483 |