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3-Hydroxymethyl-5-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID ELMxnLmsjrw
InChI InChI=1S/C12H17NO2/c1-13-7-9-4-3-5-12(15-2)11(9)6-10(13)8-14/h3-5,10,14H,6-8H2,1-2H3
InChIKey KONKAKAQKXKOCP-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9PvudOnFskf
Name 3-Hydroxymethyl-5-methoxy-2-methyl-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 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-13-7-9-4-3-5-12(15-2)11(9)6-10(13)8-14/h3-5,10,14H,6-8H2,1-2H3
InChIKey KONKAKAQKXKOCP-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES C1N(C(CC=2C(=CC=CC12)OC)CO)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80451