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

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

Phthalic acid, 1-tert-butoxyprop-2-yl butyl ester
SpectraBase Compound ID 7pti5X6JhlN
InChI InChI=1S/C19H28O5/c1-6-7-12-22-17(20)15-10-8-9-11-16(15)18(21)24-14(2)13-23-19(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3
InChIKey WDNFUOGLXKNAPN-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 KMG5UsGedg8
Name Phthalic acid, 1-tert-butoxyprop-2-yl butyl 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/c1-6-7-12-22-17(20)15-10-8-9-11-16(15)18(21)24-14(2)13-23-19(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3
InChIKey WDNFUOGLXKNAPN-UHFFFAOYSA-N
Molecular Weight 336.428 g/mol
SMILES C1=CC=CC(=C1C(OCCCC)=O)C(OC(C)COC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874435