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6-Chloro-cis-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid, methyl ester

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

6-Chloro-cis-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid, methyl ester
SpectraBase Compound ID GaZ1JQrgGjR
InChI InChI=1S/C17H15ClO4/c1-17(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)21-16(22-17)15(19)20-2/h3-10,16H,1-2H3/t16-,17-/m0/s1 InChI=1S/C17H15ClO4/c1-17(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)21-16(22-17)15(19)20-2/h3-10,16H,1-2H3/t16-,17-/m1/s1
InChIKey HQPLKMWKZCOKOM-IRXDYDNUSA-N
Mol Weight 318.76 g/mol
Molecular Formula C17H15ClO4
Exact Mass 318.065887 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9hTqvfolAnH
Name 6-chloro-cis-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid, methyl ester
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClO4
InChI InChI=1S/C17H15ClO4/c1-17(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)21-16(22-17)15(19)20-2/h3-10,16H,1-2H3/t16-,17-/m0/s1 InChI=1S/C17H15ClO4/c1-17(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)21-16(22-17)15(19)20-2/h3-10,16H,1-2H3/t16-,17-/m1/s1
InChIKey HQPLKMWKZCOKOM-IRXDYDNUSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 43050M
Solvent CDCl3