SpectraBase Compound ID | AgS3uEd7N5N |
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InChI | InChI=1S/C14H11NO/c1-15-11-7-5-9-3-2-4-10-6-8-12(16)14(11)13(9)10/h2-8,15H,1H3 |
InChIKey | CTHWWPAHMJBHGT-UHFFFAOYSA-N |
Mol Weight | 209.25 g/mol |
Molecular Formula | C14H11NO |
Exact Mass | 209.084064 g/mol |
SpectraBase Spectrum ID | 9JGrcnEvpFu |
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Name | 9-(Methylamino)-1H-phenalen-1-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 209.084063977 u |
Formula | C14H11NO |
InChI | InChI=1S/C14H11NO/c1-15-11-7-5-9-3-2-4-10-6-8-12(16)14(11)13(9)10/h2-8,15H,1H3 |
InChIKey | CTHWWPAHMJBHGT-UHFFFAOYSA-N |
Molecular Weight | 209.248 g/mol |
SMILES | CNC1=C2C3=C(C=C1)C=CC=C3C=CC2=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962021 |