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Phthalic acid, mono-tert-butyl ester

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Phthalic acid, mono-tert-butyl ester
SpectraBase Compound ID ASFj4BF2Zvx
InChI InChI=1S/C12H14O4/c1-12(2,3)16-11(15)9-7-5-4-6-8(9)10(13)14/h4-7H,1-3H3,(H,13,14)
InChIKey PBUQZKXKYSAJDO-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 K8WPuh2Hfrx
Name Phthalic acid, mono-tert-butyl ester
CAS Registry Number 33693-84-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-12(2,3)16-11(15)9-7-5-4-6-8(9)10(13)14/h4-7H,1-3H3,(H,13,14)
InChIKey PBUQZKXKYSAJDO-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference C.S. Giam, T.E. Goodwin, T.K.Yano, J. Chem. Soc. Perkin II 831 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3