SpectraBase Compound ID | F5if50l9BYj |
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InChI | InChI=1S/C8H9NO/c10-8-3-5-9(6-4-8)7-1-2-7/h3-7H,1-2H2 |
InChIKey | ZLTKWHIWKLGHOF-UHFFFAOYSA-N |
Mol Weight | 135.17 g/mol |
Molecular Formula | C8H9NO |
Exact Mass | 135.068414 g/mol |
SpectraBase Spectrum ID | IYq5DF6HAEK |
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Name | 1-Cyclopropyl-4-pyridinone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 135.068413913 u |
Formula | C8H9NO |
InChI | InChI=1S/C8H9NO/c10-8-3-5-9(6-4-8)7-1-2-7/h3-7H,1-2H2 |
InChIKey | ZLTKWHIWKLGHOF-UHFFFAOYSA-N |
Molecular Weight | 135.166 g/mol |
SMILES | C1(N2C=CC(C=C2)=O)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949013 |