| SpectraBase Spectrum ID |
LEJzAh0NfNs |
| Name |
2-Azabicyclo[2.2.0]hex-5-ene-4-carbonitrile, 5-methoxy-2-methyl-3-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
164.058577504 u |
| Formula |
C8H8N2O2 |
| InChI |
InChI=1S/C8H8N2O2/c1-10-5-3-6(12-2)8(5,4-9)7(10)11/h3,5H,1-2H3 |
| InChIKey |
ZDEDKFCHXXEUEV-UHFFFAOYSA-N |
| Molecular Weight |
164.164 g/mol |
| SMILES |
COC1=CC2C1(C(=O)N2C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934874 |
![2-Azabicyclo[2.2.0]hex-5-ene-4-carbonitrile, 5-methoxy-2-methyl-3-oxo-](/api/spectrum/LEJzAh0NfNs/structure.png?h=300&w=458 "2-Azabicyclo[2.2.0]hex-5-ene-4-carbonitrile, 5-methoxy-2-methyl-3-oxo-")
