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2-[2-methoxy-6-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]acetic acid
SpectraBase Compound ID 3Mp4HEvtpTh
InChI InChI=1S/C15H14N2O7/c1-9-14(17(20)21)11(24-16-9)7-6-10-4-3-5-12(22-2)15(10)23-8-13(18)19/h3-7H,8H2,1-2H3,(H,18,19)/b7-6+
InChIKey NBBNPXWZSTZATL-VOTSOKGWSA-N
Mol Weight 334.28 g/mol
Molecular Formula C15H14N2O7
Exact Mass 334.080101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Acz5ZNsRibQ
Name 2-{2-Methoxy-6-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy}acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.080100792 u
Formula C15H14N2O7
InChI InChI=1S/C15H14N2O7/c1-9-14(17(20)21)11(24-16-9)7-6-10-4-3-5-12(22-2)15(10)23-8-13(18)19/h3-7H,8H2,1-2H3,(H,18,19)/b7-6+
InChIKey NBBNPXWZSTZATL-VOTSOKGWSA-N
Molecular Weight 334.284 g/mol
SMILES C1(N(=O)=O)=C(ON=C1C)\C=C\C1=C(C(=CC=C1)OC)OCC(O)=O