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2-Benzyl-3-chloromethyldecahydroisoquinoline

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

2-Benzyl-3-chloromethyldecahydroisoquinoline
SpectraBase Compound ID EpBpy7yB26w
InChI InChI=1S/C17H24ClN/c18-11-17-10-15-8-4-5-9-16(15)13-19(17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2
InChIKey KWLKIZFVNNKPJT-UHFFFAOYSA-N
Mol Weight 277.84 g/mol
Molecular Formula C17H24ClN
Exact Mass 277.159727 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LZldnkzXCwc
Name 2-Benzyl-3-chloromethyldecahydroisoquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.159727477 u
Formula C17H24ClN
InChI InChI=1S/C17H24ClN/c18-11-17-10-15-8-4-5-9-16(15)13-19(17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2
InChIKey KWLKIZFVNNKPJT-UHFFFAOYSA-N
Molecular Weight 277.839 g/mol
SMILES C1=CC=CC=C1CN1CC2CCCCC2CC1CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901749