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Phthalic acid, butyl hept-2-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, butyl hept-2-yl ester
SpectraBase Compound ID ILMIPUvSGi3
InChI InChI=1S/C19H28O4/c1-4-6-8-11-15(3)23-19(21)17-13-10-9-12-16(17)18(20)22-14-7-5-2/h9-10,12-13,15H,4-8,11,14H2,1-3H3
InChIKey DWXDVYGPPSHTFU-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IdVAbr4es4F
Name Phthalic acid, butyl hept-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-4-6-8-11-15(3)23-19(21)17-13-10-9-12-16(17)18(20)22-14-7-5-2/h9-10,12-13,15H,4-8,11,14H2,1-3H3
InChIKey DWXDVYGPPSHTFU-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C1=CC(=C(C=C1)C(OC(C)CCCCC)=O)C(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959527