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Isoquinoline, decahydro-3-(2-chloroethyl)-2-phenylmethyl-

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

Isoquinoline, decahydro-3-(2-chloroethyl)-2-phenylmethyl-
SpectraBase Compound ID 6OEgp1MJQng
InChI InChI=1S/C18H26ClN/c19-11-10-18-12-16-8-4-5-9-17(16)14-20(18)13-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2
InChIKey ALASBQMPMKYRMW-UHFFFAOYSA-N
Mol Weight 291.87 g/mol
Molecular Formula C18H26ClN
Exact Mass 291.175378 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LF2wYjnVP4Q
Name Isoquinoline, decahydro-3-(2-chloroethyl)-2-phenylmethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.175377541 u
Formula C18H26ClN
InChI InChI=1S/C18H26ClN/c19-11-10-18-12-16-8-4-5-9-17(16)14-20(18)13-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2
InChIKey ALASBQMPMKYRMW-UHFFFAOYSA-N
SMILES C1=CC=CC=C1CN1CC2CCCCC2CC1CCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900933