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2,4-Dichlorophenoxyacetylasparate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2,4-Dichlorophenoxyacetylasparate
SpectraBase Compound ID 7C2cgzAqoiA
InChI InChI=1S/C14H15Cl2NO6/c1-21-13(19)6-10(14(20)22-2)17-12(18)7-23-11-4-3-8(15)5-9(11)16/h3-5,10H,6-7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKey FHTZLTIATGUNCJ-JTQLQIEISA-N
Mol Weight 364.18 g/mol
Molecular Formula C14H15Cl2NO6
Exact Mass 363.027643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ah1wUE7zrG
Name 2,4-Dichlorophenoxyacetylasparate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.027642601 u
Formula C14H15Cl2NO6
InChI InChI=1S/C14H15Cl2NO6/c1-21-13(19)6-10(14(20)22-2)17-12(18)7-23-11-4-3-8(15)5-9(11)16/h3-5,10H,6-7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKey FHTZLTIATGUNCJ-JTQLQIEISA-N
Molecular Weight 364.181 g/mol
SMILES C([C@@](C(=O)OC)(NC(=O)COC=1C(=CC(=CC1)Cl)Cl)[H])C(=O)OC