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4-[[4-[2-[2-(tert-butylamino)-2-keto-ethyl]tetrazol-5-yl]phenoxy]methyl]benzoic acid methyl ester
SpectraBase Compound ID lwnrDkPxE3
InChI InChI=1S/C22H25N5O4/c1-22(2,3)23-19(28)13-27-25-20(24-26-27)16-9-11-18(12-10-16)31-14-15-5-7-17(8-6-15)21(29)30-4/h5-12H,13-14H2,1-4H3,(H,23,28)
InChIKey IBEYJQJIGQZOKV-UHFFFAOYSA-N
Mol Weight 423.47 g/mol
Molecular Formula C22H25N5O4
Exact Mass 423.190654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0TNRvRvNAm
Name 4-[[4-[2-[2-(tert-butylamino)-2-keto-ethyl]tetrazol-5-yl]phenoxy]methyl]benzoic acid methyl ester
Alternate Name(s) 4-[[4-[2-[2-(tert-butylamino)-2-oxoethyl]-5-tetrazolyl]phenoxy]methyl]benzoic acid methyl ester Methyl 4-[[4-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]phenoxy]methyl]benzoate Methyl 4-[[4-[2-[2-(tert-butylamino)-2-oxo-ethyl]tetrazol-5-yl]phenoxy]methyl]benzoate
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Formula C22H25N5O4
InChI InChI=1S/C22H25N5O4/c1-22(2,3)23-19(28)13-27-25-20(24-26-27)16-9-11-18(12-10-16)31-14-15-5-7-17(8-6-15)21(29)30-4/h5-12H,13-14H2,1-4H3,(H,23,28)
InChIKey IBEYJQJIGQZOKV-UHFFFAOYSA-N
Molecular Weight 423.473 g/mol
SMILES N(C(=O)C[n]1nnc(-c2ccc(OCc3ccc(cc3)C(OC)=O)cc2)n1)C(C)(C)C
SPLASH splash10-0002-2892000000-cd8c0d38563938c96e23
Wiley ID 1445408