SpectraBase Compound ID | Afcpwro9rk8 |
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InChI | InChI=1S/C11H15NO/c13-8-7-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,13H,5-9H2 |
InChIKey | WLRXAYDWKJAYPS-UHFFFAOYSA-N |
Mol Weight | 177.25 g/mol |
Molecular Formula | C11H15NO |
Exact Mass | 177.115364 g/mol |
SpectraBase Spectrum ID | Gje6Z8yuujZ |
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Name | N-(2-Hydroxyethyl)-1,2,3,4-tetrahydroisoquinoline |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 177.115364106 u |
Formula | C11H15NO |
InChI | InChI=1S/C11H15NO/c13-8-7-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,13H,5-9H2 |
InChIKey | WLRXAYDWKJAYPS-UHFFFAOYSA-N |
Molecular Weight | 177.247 g/mol |
SMILES | C1N(CCC=2C=CC=CC12)CCO |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945296 |