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Terephthalic acid, hexyl 2-tetrahydrofurylmethyl ester

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Terephthalic acid, hexyl 2-tetrahydrofurylmethyl ester
SpectraBase Compound ID 7qMMtx7jpfu
InChI InChI=1S/C19H26O5/c1-2-3-4-5-12-23-18(20)15-8-10-16(11-9-15)19(21)24-14-17-7-6-13-22-17/h8-11,17H,2-7,12-14H2,1H3
InChIKey YVOPFDITHSUBNZ-UHFFFAOYSA-N
Mol Weight 334.41 g/mol
Molecular Formula C19H26O5
Exact Mass 334.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GW3Btq9odTc
Name Terephthalic acid, hexyl 2-tetrahydrofurylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.178023932 u
Formula C19H26O5
InChI InChI=1S/C19H26O5/c1-2-3-4-5-12-23-18(20)15-8-10-16(11-9-15)19(21)24-14-17-7-6-13-22-17/h8-11,17H,2-7,12-14H2,1H3
InChIKey YVOPFDITHSUBNZ-UHFFFAOYSA-N
Molecular Weight 334.412 g/mol
SMILES CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCC1OCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934923