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2-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid

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2-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid
SpectraBase Compound ID F46vNOkJowK
InChI InChI=1S/C17H12ClFN2O3/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15(22)21(14)9-16(23)24/h1-7H,8-9H2,(H,23,24)
InChIKey RHAHLZSKPHXZAD-UHFFFAOYSA-N
Mol Weight 346.75 g/mol
Molecular Formula C17H12ClFN2O3
Exact Mass 346.052048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pvEmB17lwT
Name 2-[7-Chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.052048114 u
Formula C17H12ClFN2O3
InChI InChI=1S/C17H12ClFN2O3/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15(22)21(14)9-16(23)24/h1-7H,8-9H2,(H,23,24)
InChIKey RHAHLZSKPHXZAD-UHFFFAOYSA-N
Molecular Weight 346.745 g/mol
SMILES C=12N(C(CN=C(C2=CC(=CC1)Cl)C=1C(F)=CC=CC1)=O)CC(=O)O