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PHTHALIC ACID, MONO(alpha-ETHYL-alpha-METHYLBENZYL) ESTER

View entire compound with spectra: 2 NMR, and 1 FTIR

PHTHALIC ACID, MONO(alpha-ETHYL-alpha-METHYLBENZYL) ESTER
SpectraBase Compound ID 2XPIcclY9mE
InChI InChI=1S/C18H18O4/c1-3-18(2,13-9-5-4-6-10-13)22-17(21)15-12-8-7-11-14(15)16(19)20/h4-12H,3H2,1-2H3,(H,19,20)
InChIKey AYBLOUHFXUMBBK-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bllx22bVloX
Name PHTHALIC ACID, MONO(alpha-ETHYL-alpha-METHYLBENZYL) ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-3-18(2,13-9-5-4-6-10-13)22-17(21)15-12-8-7-11-14(15)16(19)20/h4-12H,3H2,1-2H3,(H,19,20)
InChIKey AYBLOUHFXUMBBK-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 298.34
Solvent DMSO-d6; Reference=TMS; Temperature 297K