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Phthalic acid, butyl furfuryl ester

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Phthalic acid, butyl furfuryl ester
SpectraBase Compound ID 2jrVJqexrLl
InChI InChI=1S/C17H22O5/c1-2-3-10-21-16(18)14-8-4-5-9-15(14)17(19)22-12-13-7-6-11-20-13/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3
InChIKey GYFBKQWDCNLSDR-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4w76bjJgBUV
Name Phthalic acid, butyl furfuryl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.146723803 u
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-2-3-10-21-16(18)14-8-4-5-9-15(14)17(19)22-12-13-7-6-11-20-13/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3
InChIKey GYFBKQWDCNLSDR-UHFFFAOYSA-N
Molecular Weight 306.358 g/mol
SMILES CCCCOC(C=1C(C(=O)OCC2CCCO2)=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843127