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11-Benzyloxy-8-chloro[5]metacyclophane

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

11-Benzyloxy-8-chloro[5]metacyclophane
SpectraBase Compound ID 4ryj1nGcq0o
InChI InChI=1S/C18H19ClO/c19-17-11-15-9-5-2-6-10-16(12-17)18(15)20-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12H,2,5-6,9-10,13H2
InChIKey GJHLCJAFRFRSRD-UHFFFAOYSA-N
Mol Weight 286.8 g/mol
Molecular Formula C18H19ClO
Exact Mass 286.112443 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID qoSNYQHgCx
Name 11-Benzyloxy-8-chloro[5]metacyclophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.112442931 u
Formula C18H19ClO
InChI InChI=1S/C18H19ClO/c19-17-11-15-9-5-2-6-10-16(12-17)18(15)20-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12H,2,5-6,9-10,13H2
InChIKey GJHLCJAFRFRSRD-UHFFFAOYSA-N
Molecular Weight 286.802 g/mol
SMILES C1(=C2C=C(C=C1CCCCC2)Cl)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960576