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2-{2-[(7-Chloro-2-quinoxalinyl)oxy]phenoxy}propionic acid methyl ester
SpectraBase Compound ID H8ZbLe2Gctp
InChI InChI=1S/C18H15ClN2O4/c1-11(18(22)23-2)24-15-5-3-4-6-16(15)25-17-10-20-13-8-7-12(19)9-14(13)21-17/h3-11H,1-2H3
InChIKey XHEPIXBPKTZSJG-UHFFFAOYSA-N
Mol Weight 358.78 g/mol
Molecular Formula C18H15ClN2O4
Exact Mass 358.072035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JCsDv9H2ky
Name 2-{2-[(7-Chloro-2-quinoxalinyl)oxy]phenoxy}propionic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 358.072034667 u
Formula C18H15ClN2O4
InChI InChI=1S/C18H15ClN2O4/c1-11(18(22)23-2)24-15-5-3-4-6-16(15)25-17-10-20-13-8-7-12(19)9-14(13)21-17/h3-11H,1-2H3
InChIKey XHEPIXBPKTZSJG-UHFFFAOYSA-N
Molecular Weight 358.781 g/mol
SMILES C(C(C)OC=1C(=CC=CC1)OC1=NC=2C(N=C1)=CC=C(C2)Cl)(=O)OC