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3-(Chloromethylene)-2,3,4,5-tetrahydro-1-benzoxepine

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

3-(Chloromethylene)-2,3,4,5-tetrahydro-1-benzoxepine
SpectraBase Compound ID FfHksObMYq5
InChI InChI=1S/C11H11ClO/c12-7-9-5-6-10-3-1-2-4-11(10)13-8-9/h1-4,7H,5-6,8H2/b9-7-
InChIKey XKZZSUFIFQWXGP-CLFYSBASSA-N
Mol Weight 194.66 g/mol
Molecular Formula C11H11ClO
Exact Mass 194.049843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8oTitdX8Erq
Name 3-(Chloromethylene)-2,3,4,5-tetrahydro-1-benzoxepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.049842673 u
Formula C11H11ClO
InChI InChI=1S/C11H11ClO/c12-7-9-5-6-10-3-1-2-4-11(10)13-8-9/h1-4,7H,5-6,8H2/b9-7-
InChIKey XKZZSUFIFQWXGP-CLFYSBASSA-N
Molecular Weight 194.661 g/mol
SMILES C1OC=2C(CC\C1=C/Cl)=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9097