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Chloroacetaldehyde dioctyl acetal

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

Chloroacetaldehyde dioctyl acetal
SpectraBase Compound ID 8WLuuSDPMWa
InChI InChI=1S/C18H37ClO2/c1-3-5-7-9-11-13-15-20-18(17-19)21-16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3
InChIKey QXCDPKBZZFFWBE-UHFFFAOYSA-N
Mol Weight 320.9 g/mol
Molecular Formula C18H37ClO2
Exact Mass 320.248208 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7rpFTcLB9LS
Name Chloroacetaldehyde dioctyl acetal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.248208129 u
Formula C18H37ClO2
InChI InChI=1S/C18H37ClO2/c1-3-5-7-9-11-13-15-20-18(17-19)21-16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3
InChIKey QXCDPKBZZFFWBE-UHFFFAOYSA-N
Molecular Weight 320.945 g/mol
SMILES C(CCl)(OCCCCCCCC)OCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876466