SpectraBase Compound ID | Gv1Jfk0mEMD |
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InChI | InChI=1S/C11H13NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-5,12-13H,6-8H2 |
InChIKey | KNEGDCIGZXOTBG-UHFFFAOYSA-N |
Mol Weight | 175.23 g/mol |
Molecular Formula | C11H13NO |
Exact Mass | 175.099714 g/mol |
SpectraBase Spectrum ID | 6XTD7Her2Jc |
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Name | 1,2,3,6-Tetrahydropyridine, 4-[4-hydroxyphenyl]- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 175.099714042 u |
Formula | C11H13NO |
InChI | InChI=1S/C11H13NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-5,12-13H,6-8H2 |
InChIKey | KNEGDCIGZXOTBG-UHFFFAOYSA-N |
Molecular Weight | 175.231 g/mol |
SMILES | C1=CC(=CC=C1C=1CCNCC1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954795 |