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benzoic acid, 4-[[[5-(4-fluorophenyl)-2H-tetrazol-2-yl]acetyl]amino]-,ethyl ester
SpectraBase Compound ID 69rkLtwFU0M
InChI InChI=1S/C18H16FN5O3/c1-2-27-18(26)13-5-9-15(10-6-13)20-16(25)11-24-22-17(21-23-24)12-3-7-14(19)8-4-12/h3-10H,2,11H2,1H3,(H,20,25)
InChIKey FMZSKZKRKYRHLS-UHFFFAOYSA-N
Mol Weight 369.36 g/mol
Molecular Formula C18H16FN5O3
Exact Mass 369.123718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDWffhqyQhY
Name 4-[2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetylamino]-benzoic acid ethyl ester
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Formula C18H16FN5O3
InChI InChI=1S/C18H16FN5O3/c1-2-27-18(26)13-5-9-15(10-6-13)20-16(25)11-24-22-17(21-23-24)12-3-7-14(19)8-4-12/h3-10H,2,11H2,1H3,(H,20,25)
InChIKey FMZSKZKRKYRHLS-UHFFFAOYSA-N
Molecular Weight 369.356 g/mol
SMILES N(C(C[n]1nc(nn1)-c1ccc(cc1)F)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-00dm-2900000000-3a979f681e2456b9aea6
Synonyms 4-[[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-(([5-(4-fluorophenyl)-2H-tetraazol-2-yl]acetyl)amino)benzoate Ethyl 4-[2-[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]ethanoylamino]benzoate Ethyl 4-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate
Wiley ID 1436946