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Isoquinoline, 1-ethyl-1,2,3,4-tetrahydro-2-methyl-

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

Isoquinoline, 1-ethyl-1,2,3,4-tetrahydro-2-methyl-
SpectraBase Compound ID E5lzG474Ok7
InChI InChI=1S/C12H17N/c1-3-12-11-7-5-4-6-10(11)8-9-13(12)2/h4-7,12H,3,8-9H2,1-2H3
InChIKey TWTKJNVCUOICER-UHFFFAOYSA-N
Mol Weight 175.27 g/mol
Molecular Formula C12H17N
Exact Mass 175.1361 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hl1IfOLGLhO
Name Isoquinoline, 1-ethyl-1,2,3,4-tetrahydro-2-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 175.136099551 u
Formula C12H17N
InChI InChI=1S/C12H17N/c1-3-12-11-7-5-4-6-10(11)8-9-13(12)2/h4-7,12H,3,8-9H2,1-2H3
InChIKey TWTKJNVCUOICER-UHFFFAOYSA-N
Molecular Weight 175.275 g/mol
SMILES C1(N(CCC=2C=CC=CC12)C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940417