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Succinic acid, di(8-bromooctyl) ester

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

Succinic acid, di(8-bromooctyl) ester
SpectraBase Compound ID GbsgCRWXJX
InChI InChI=1S/C20H36Br2O4/c21-15-9-5-1-3-7-11-17-25-19(23)13-14-20(24)26-18-12-8-4-2-6-10-16-22/h1-18H2
InChIKey DLIYZUZTKOQDLX-UHFFFAOYSA-N
Mol Weight 500.3 g/mol
Molecular Formula C20H36Br2O4
Exact Mass 498.098036 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1VSMh39C2G1
Name Succinic acid, di(8-bromooctyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.098035635 u
Formula C20H36Br2O4
InChI InChI=1S/C20H36Br2O4/c21-15-9-5-1-3-7-11-17-25-19(23)13-14-20(24)26-18-12-8-4-2-6-10-16-22/h1-18H2
InChIKey DLIYZUZTKOQDLX-UHFFFAOYSA-N
Molecular Weight 500.312 g/mol
SMILES C(CCC(OCCCCCCCCBr)=O)(OCCCCCCCCBr)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964572