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bis(Phenylmethyl) octanedioate

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

bis(Phenylmethyl) octanedioate
SpectraBase Compound ID CiHsyZF2AxP
InChI InChI=1S/C22H26O4/c23-21(25-17-19-11-5-3-6-12-19)15-9-1-2-10-16-22(24)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2
InChIKey KWYCNDSIQMBOIS-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9TAAFvmIXp6
Name bis(Phenylmethyl) octanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c23-21(25-17-19-11-5-3-6-12-19)15-9-1-2-10-16-22(24)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2
InChIKey KWYCNDSIQMBOIS-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C(=O)(OCC=1C=CC=CC1)CCCCCCC(=O)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9663