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1'-(chloromethyl)-4'H-spiro[cyclohexane-1,3'-isoquinoline]

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

1'-(chloromethyl)-4'H-spiro[cyclohexane-1,3'-isoquinoline]
SpectraBase Compound ID DSPzZLSFBet
InChI InChI=1S/C15H18ClN/c16-11-14-13-7-3-2-6-12(13)10-15(17-14)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11H2
InChIKey IMENUSUCFACGNM-UHFFFAOYSA-N
Mol Weight 247.77 g/mol
Molecular Formula C15H18ClN
Exact Mass 247.112777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DCCtxxq8vB8
Name 1-Chloromethyl-3-spiro-cyclohexyl-3,4-dihydro-isoquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.112777284 u
Formula C15H18ClN
InChI InChI=1S/C15H18ClN/c16-11-14-13-7-3-2-6-12(13)10-15(17-14)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11H2
InChIKey IMENUSUCFACGNM-UHFFFAOYSA-N
Molecular Weight 247.769 g/mol
SMILES C1CCC2(N=C(C3=CC=CC=C3C2)CCl)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897976