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Phthalic acid, hept-2-yl propyl ester

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

Phthalic acid, hept-2-yl propyl ester
SpectraBase Compound ID 8XpJnIFElYf
InChI InChI=1S/C18H26O4/c1-4-6-7-10-14(3)22-18(20)16-12-9-8-11-15(16)17(19)21-13-5-2/h8-9,11-12,14H,4-7,10,13H2,1-3H3
InChIKey SINUQXNPPMXPMF-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6YnBvrVfyYo
Name Phthalic acid, hept-2-yl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-4-6-7-10-14(3)22-18(20)16-12-9-8-11-15(16)17(19)21-13-5-2/h8-9,11-12,14H,4-7,10,13H2,1-3H3
InChIKey SINUQXNPPMXPMF-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES C1=CC(=C(C=C1)C(OC(C)CCCCC)=O)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925668