SpectraBase Spectrum ID |
4xMPAhc1bq0 |
Name |
2-Methoxy-6-methyl-cyclohexa-2,5-dienecarboxamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
167.094628661 u |
Formula |
C9H13NO2 |
InChI |
InChI=1S/C9H13NO2/c1-6-4-3-5-7(12-2)8(6)9(10)11/h4-5,8H,3H2,1-2H3,(H2,10,11) |
InChIKey |
RYZQBKNFYFFACZ-UHFFFAOYSA-N |
Molecular Weight |
167.208 g/mol |
SMILES |
C=1CC=C(C(C1OC)C(N)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923107 |