SpectraBase Spectrum ID |
2sOR15ZqC6t |
Name |
Tricyclo[4.3.1.1(3,8)]undecane-1-carboxylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
194.130679818 u |
Formula |
C12H18O2 |
InChI |
InChI=1S/C12H18O2/c13-11(14)12-5-8-1-2-9(6-12)4-10(3-8)7-12/h8-10H,1-7H2,(H,13,14)/t8-,9+,10-,12- |
InChIKey |
STNYGMDZVYBFLR-GOCCLTDMSA-N |
Molecular Weight |
194.274 g/mol |
SMILES |
C(O)(=O)[C@]12C[C@]3(C[C@](C2)(CC[C@](C1)(C3)[H])[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961774 |