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3-Hydroxymethyl-N-(5'-methyl-4'-hexenyl)-,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-Hydroxymethyl-N-(5'-methyl-4'-hexenyl)-,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID BHAIktuDPKe
InChI InChI=1S/C17H25NO/c1-14(2)7-5-6-10-18-12-16-9-4-3-8-15(16)11-17(18)13-19/h3-4,7-9,17,19H,5-6,10-13H2,1-2H3
InChIKey LWOITQMJLACHMG-UHFFFAOYSA-N
Mol Weight 259.39 g/mol
Molecular Formula C17H25NO
Exact Mass 259.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4k1usjS9LPJ
Name 3-Hydroxymethyl-N-(5'-methyl-4'-hexenyl)-,2,3,4-tetrahydroisoquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.193614428 u
Formula C17H25NO
InChI InChI=1S/C17H25NO/c1-14(2)7-5-6-10-18-12-16-9-4-3-8-15(16)11-17(18)13-19/h3-4,7-9,17,19H,5-6,10-13H2,1-2H3
InChIKey LWOITQMJLACHMG-UHFFFAOYSA-N
Molecular Weight 259.393 g/mol
SMILES C1N(C(CC2=CC=CC=C12)CO)CCCC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949921