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Bisphenol C-dichloride, bis(2-methylpropionate)

View entire compound with spectra: 1 FTIR

Bisphenol C-dichloride, bis(2-methylpropionate)
SpectraBase Compound ID HjbB7BRHehH
InChI InChI=1S/C22H22Cl2O4/c1-13(2)21(25)27-17-9-5-15(6-10-17)19(20(23)24)16-7-11-18(12-8-16)28-22(26)14(3)4/h5-14H,1-4H3
InChIKey PBUQGBBGLFBDCU-UHFFFAOYSA-N
Mol Weight 421.32 g/mol
Molecular Formula C22H22Cl2O4
Exact Mass 420.089515 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9hYea1bmdTJ
Name Bisphenol C-dichloride, bis(2-methylpropionate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.089514584 u
Formula C22H22Cl2O4
InChI InChI=1S/C22H22Cl2O4/c1-13(2)21(25)27-17-9-5-15(6-10-17)19(20(23)24)16-7-11-18(12-8-16)28-22(26)14(3)4/h5-14H,1-4H3
InChIKey PBUQGBBGLFBDCU-UHFFFAOYSA-N
Molecular Weight 421.320 g/mol
SMILES C(=C(Cl)Cl)(C1=CC=C(C=C1)OC(C(C)C)=O)C1=CC=C(C=C1)OC(C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931309