| SpectraBase Spectrum ID |
EPhl8Pz6h5w |
| Name |
Pentacyclo[6.3.0.0(2,6).0(3,10).0(5,9)]undecane-2-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.099379689 u |
| Formula |
C12H14O2 |
| InChI |
InChI=1S/C12H14O2/c13-11(14)12-7-1-4-8(12)3-6-9(12)2-5(7)10(4)6/h4-10H,1-3H2,(H,13,14) |
| InChIKey |
ACSFQBUTVSJQHC-UHFFFAOYSA-N |
| Molecular Weight |
190.242 g/mol |
| SMILES |
C12(C3C4CC2C2C4C(C1C2)C3)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87456 |
![Pentacyclo[6.3.0.0(2,6).0(3,10).0(5,9)]undecane-2-carboxylic acid](/api/spectrum/EPhl8Pz6h5w/structure.png?h=300&w=458 "Pentacyclo[6.3.0.0(2,6).0(3,10).0(5,9)]undecane-2-carboxylic acid")
