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Phthalic acid, 5-methoxy-3-methylpent-2-yl propyl ester

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

Phthalic acid, 5-methoxy-3-methylpent-2-yl propyl ester
SpectraBase Compound ID 8Khd5NPpFpX
InChI InChI=1S/C18H26O5/c1-5-11-22-17(19)15-8-6-7-9-16(15)18(20)23-14(3)13(2)10-12-21-4/h6-9,13-14H,5,10-12H2,1-4H3
InChIKey CXEIXVXMRJXNID-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CaCTGP0rtX9
Name Phthalic acid, 5-methoxy-3-methylpent-2-yl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.178023932 u
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-5-11-22-17(19)15-8-6-7-9-16(15)18(20)23-14(3)13(2)10-12-21-4/h6-9,13-14H,5,10-12H2,1-4H3
InChIKey CXEIXVXMRJXNID-UHFFFAOYSA-N
Molecular Weight 322.401 g/mol
SMILES C(C1=C(C=CC=C1)C(OC(C)C(CCOC)C)=O)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.815793