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3-[5-((E)-{[(methylamino)carbothioyl]hydrazono}methyl)-2-furyl]benzoic acid

View entire compound with spectra: 2 NMR

3-[5-((E)-{[(methylamino)carbothioyl]hydrazono}methyl)-2-furyl]benzoic acid
SpectraBase Compound ID 99LgILWWaJx
InChI InChI=1S/C14H13N3O3S/c1-15-14(21)17-16-8-11-5-6-12(20-11)9-3-2-4-10(7-9)13(18)19/h2-8H,1H3,(H,18,19)(H2,15,17,21)/b16-8+
InChIKey WNCHYIAZCYPXBU-LZYBPNLTSA-N
Mol Weight 303.34 g/mol
Molecular Formula C14H13N3O3S
Exact Mass 303.067762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrNqvstMb7X
Name 3-[5-((E)-{[(methylamino)carbothioyl]hydrazono}methyl)-2-furyl]benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.067762462 u
Formula C14H13N3O3S
InChI InChI=1S/C14H13N3O3S/c1-15-14(21)17-16-8-11-5-6-12(20-11)9-3-2-4-10(7-9)13(18)19/h2-8H,1H3,(H,18,19)(H2,15,17,21)/b16-8+
InChIKey WNCHYIAZCYPXBU-LZYBPNLTSA-N
Molecular Weight 303.336 g/mol
SMILES N(C(=S)NC)\N=C\C=1OC(C=2C=C(C(=O)O)C=CC2)=CC1