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Phthalic acid, 1-tert-butoxyprop-2-yl isobutyl ester

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Phthalic acid, 1-tert-butoxyprop-2-yl isobutyl ester
SpectraBase Compound ID EU8ahsKh5ru
InChI InChI=1S/C19H28O5/c1-13(2)11-22-17(20)15-9-7-8-10-16(15)18(21)24-14(3)12-23-19(4,5)6/h7-10,13-14H,11-12H2,1-6H3
InChIKey XGKKCHVRPMKNSC-UHFFFAOYSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GWY2H1bLFxd
Name Phthalic acid, 1-tert-butoxyprop-2-yl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.193673997 u
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-13(2)11-22-17(20)15-9-7-8-10-16(15)18(21)24-14(3)12-23-19(4,5)6/h7-10,13-14H,11-12H2,1-6H3
InChIKey XGKKCHVRPMKNSC-UHFFFAOYSA-N
Molecular Weight 336.428 g/mol
SMILES C1=CC=CC(=C1C(OCC(C)C)=O)C(OC(C)COC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92895