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Succinic acid, 7-bromoheptyl 7-chloroheptyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, 7-bromoheptyl 7-chloroheptyl ester
SpectraBase Compound ID 2CHaXgBw1ZY
InChI InChI=1S/C18H32BrClO4/c19-13-7-3-1-5-9-15-23-17(21)11-12-18(22)24-16-10-6-2-4-8-14-20/h1-16H2
InChIKey FFZKFXKSCIBBAE-UHFFFAOYSA-N
Mol Weight 427.8 g/mol
Molecular Formula C18H32BrClO4
Exact Mass 426.11725 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8EWIqngNUaG
Name Succinic acid, 7-bromoheptyl 7-chloroheptyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.117250206 u
Formula C18H32BrClO4
InChI InChI=1S/C18H32BrClO4/c19-13-7-3-1-5-9-15-23-17(21)11-12-18(22)24-16-10-6-2-4-8-14-20/h1-16H2
InChIKey FFZKFXKSCIBBAE-UHFFFAOYSA-N
Molecular Weight 427.807 g/mol
SMILES C(OC(=O)CCC(OCCCCCCCCl)=O)CCCCCCBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96276