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Isophthalic acid, 2-chloro-5-methylphenyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-chloro-5-methylphenyl pentyl ester
SpectraBase Compound ID KxcmzG3gkos
InChI InChI=1S/C20H21ClO4/c1-3-4-5-11-24-19(22)15-7-6-8-16(13-15)20(23)25-18-12-14(2)9-10-17(18)21/h6-10,12-13H,3-5,11H2,1-2H3
InChIKey QJFXRWOXINUDMB-UHFFFAOYSA-N
Mol Weight 360.84 g/mol
Molecular Formula C20H21ClO4
Exact Mass 360.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3Qpi46aEE5
Name Isophthalic acid, 2-chloro-5-methylphenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.112836852 u
Formula C20H21ClO4
InChI InChI=1S/C20H21ClO4/c1-3-4-5-11-24-19(22)15-7-6-8-16(13-15)20(23)25-18-12-14(2)9-10-17(18)21/h6-10,12-13H,3-5,11H2,1-2H3
InChIKey QJFXRWOXINUDMB-UHFFFAOYSA-N
Molecular Weight 360.837 g/mol
SMILES C1=C(C=CC=C1C(OC1=CC(C)=CC=C1Cl)=O)C(=O)OCCCCC