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3-[[2-[5-(2-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-methoxyphenyl)propanoic acid ethyl ester
SpectraBase Compound ID 6JIWQRHxVbm
InChI InChI=1S/C21H22FN5O4/c1-3-31-20(29)12-18(14-8-10-15(30-2)11-9-14)23-19(28)13-27-25-21(24-26-27)16-6-4-5-7-17(16)22/h4-11,18H,3,12-13H2,1-2H3,(H,23,28)
InChIKey UHAUFAKWQHJTPP-UHFFFAOYSA-N
Mol Weight 427.44 g/mol
Molecular Formula C21H22FN5O4
Exact Mass 427.165582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3r5RdvwS48P
Name 3-[[2-[5-(2-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-methoxyphenyl)propanoic acid ethyl ester
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Formula C21H22FN5O4
InChI InChI=1S/C21H22FN5O4/c1-3-31-20(29)12-18(14-8-10-15(30-2)11-9-14)23-19(28)13-27-25-21(24-26-27)16-6-4-5-7-17(16)22/h4-11,18H,3,12-13H2,1-2H3,(H,23,28)
InChIKey UHAUFAKWQHJTPP-UHFFFAOYSA-N
Molecular Weight 427.436 g/mol
SMILES N(C(c1ccc(cc1)OC)CC(OCC)=O)C(=O)C[n]1nnc(-c2c(cccc2)F)n1
SPLASH splash10-00e9-3940000000-0b83b9e2291cc8d763d6
Synonyms 3-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)propionic acid ethyl ester Ethyl 3-[2-[5-(2-fluorophenyl)-1,2,3,4-tetrazol-2-yl]ethanoylamino]-3-(4-methoxyphenyl)propanoate Ethyl 3-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
Wiley ID 1512388