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Isoquinoline, 1,2,3,4-tetrahydro-1-butyl

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Isoquinoline, 1,2,3,4-tetrahydro-1-butyl
SpectraBase Compound ID 5dTPIXL6kAK
InChI InChI=1S/C13H19N/c1-2-3-8-13-12-7-5-4-6-11(12)9-10-14-13/h4-7,13-14H,2-3,8-10H2,1H3
InChIKey NEMBFAJWTUSZDU-UHFFFAOYSA-N
Mol Weight 189.3 g/mol
Molecular Formula C13H19N
Exact Mass 189.15175 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Jsqj1BvrFS
Name Isoquinoline, 1,2,3,4-tetrahydro-1-butyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.151749616 u
Formula C13H19N
InChI InChI=1S/C13H19N/c1-2-3-8-13-12-7-5-4-6-11(12)9-10-14-13/h4-7,13-14H,2-3,8-10H2,1H3
InChIKey NEMBFAJWTUSZDU-UHFFFAOYSA-N
Molecular Weight 189.302 g/mol
SMILES C(CC1C=2C=CC=CC2CCN1)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.989407