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ethyl 4-{butyl[(5-phenyl-2H-tetraazol-2-yl)acetyl]amino}benzoate
SpectraBase Compound ID 51FvUst3BWf
InChI InChI=1S/C22H25N5O3/c1-3-5-15-26(19-13-11-18(12-14-19)22(29)30-4-2)20(28)16-27-24-21(23-25-27)17-9-7-6-8-10-17/h6-14H,3-5,15-16H2,1-2H3
InChIKey HXTASNDBEMOERO-UHFFFAOYSA-N
Mol Weight 407.47 g/mol
Molecular Formula C22H25N5O3
Exact Mass 407.19574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBxcoCfq4yU
Name 4-[butyl-[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N5O3
InChI InChI=1S/C22H25N5O3/c1-3-5-15-26(19-13-11-18(12-14-19)22(29)30-4-2)20(28)16-27-24-21(23-25-27)17-9-7-6-8-10-17/h6-14H,3-5,15-16H2,1-2H3
InChIKey HXTASNDBEMOERO-UHFFFAOYSA-N
Molecular Weight 407.474 g/mol
SMILES c1ccc(-c2n[n](nn2)CC(N(c2ccc(C(=O)OCC)cc2)CCCC)=O)cc1
SPLASH splash10-0f89-1910000000-0f8687d2ec1ec769ede8
Synonyms Ethyl 4-[butyl-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoyl]amino]benzoate Ethyl 4-[butyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoate
Wiley ID 1464133