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4-Benzyl-2-methyl-1,4-dihydro-3(2H)-isoquinoline

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4-Benzyl-2-methyl-1,4-dihydro-3(2H)-isoquinoline
SpectraBase Compound ID ILTnilEK4Yg
InChI InChI=1S/C17H17NO/c1-18-12-14-9-5-6-10-15(14)16(17(18)19)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKey GYMALOUFMPTONI-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C17H17NO
Exact Mass 251.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4pcowu2VO8P
Name 4-Benzyl-2-methyl-1,4-dihydro-3(2H)-isoquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.131014170 u
Formula C17H17NO
InChI InChI=1S/C17H17NO/c1-18-12-14-9-5-6-10-15(14)16(17(18)19)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKey GYMALOUFMPTONI-UHFFFAOYSA-N
Molecular Weight 251.329 g/mol
SMILES C1(N(CC=2C(C1CC1=CC=CC=C1)=CC=CC2)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825645