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5-tert-BUTYLISOPHTHALIC ACID

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5-tert-BUTYLISOPHTHALIC ACID
SpectraBase Compound ID JYqLH6BztvX
InChI InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKey BJLUCDZIWWSFIB-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dbzdh97jU4W
Name 5-tert-BUTYLISOPHTHALIC ACID
Source of Sample Research Organic/Inorganic Chemical Corporation, Sun Valley, California
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKey BJLUCDZIWWSFIB-UHFFFAOYSA-N
Molecular Weight 222.24
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ISOPHTHALIC ACID, 5-tert-BUTYL-,