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4-Phenoxy-phthalic acid, isobutyl ester

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4-Phenoxy-phthalic acid, isobutyl ester
SpectraBase Compound ID C538grbTAqp
InChI InChI=1S/C22H26O5/c1-15(2)13-25-21(23)19-11-10-18(27-17-8-6-5-7-9-17)12-20(19)22(24)26-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3
InChIKey WHCMLYXQJUNAFK-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7eK5y86AXRH
Name 4-Phenoxy-phthalic acid, isobutyl ester
CAS Registry Number 63197-33-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-15(2)13-25-21(23)19-11-10-18(27-17-8-6-5-7-9-17)12-20(19)22(24)26-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3
InChIKey WHCMLYXQJUNAFK-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference F.J. Williams, P.E. Donahue, J. Org. Chem. 42, 3414 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3