SpectraBase Compound ID | 9rZQFPcQVIO |
---|---|
InChI | InChI=1S/C13H13NO/c1-15-13-7-4-5-11(10-13)9-12-6-2-3-8-14-12/h2-8,10H,9H2,1H3 |
InChIKey | JDXLPTCPIUWJMK-UHFFFAOYSA-N |
Mol Weight | 199.25 g/mol |
Molecular Formula | C13H13NO |
Exact Mass | 199.099714 g/mol |
SpectraBase Spectrum ID | GgEIGU60uLa |
---|---|
Name | Pyridine, 2-[(3-methoxyphenyl)methyl]- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 199.099714042 u |
Formula | C13H13NO |
InChI | InChI=1S/C13H13NO/c1-15-13-7-4-5-11(10-13)9-12-6-2-3-8-14-12/h2-8,10H,9H2,1H3 |
InChIKey | JDXLPTCPIUWJMK-UHFFFAOYSA-N |
Molecular Weight | 199.253 g/mol |
SMILES | C(C1=NC=CC=C1)C1=CC(=CC=C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93174 |