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2,5-Dipropoxyterephthalaldehyde

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

2,5-Dipropoxyterephthalaldehyde
SpectraBase Compound ID IS0uI7MMEBm
InChI InChI=1S/C14H18O4/c1-3-5-17-13-7-12(10-16)14(18-6-4-2)8-11(13)9-15/h7-10H,3-6H2,1-2H3
InChIKey IYVCKZLBCVNHFV-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4QDLFkrH4oD
Name 2,5-Dipropoxyterephthalaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-3-5-17-13-7-12(10-16)14(18-6-4-2)8-11(13)9-15/h7-10H,3-6H2,1-2H3
InChIKey IYVCKZLBCVNHFV-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES C(=O)C=1C=C(C(=CC1OCCC)C=O)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970951