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 Google Search
Mol Weight	423.47 g/mol
Molecular Formula	C22H25N5O4
Exact Mass	423.190654 g/mol

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SpectraBase Spectrum ID	7vrTadCU4UK
Name	4-[[4-[2-[2-(Tert-butylamino)-2-keto-ethyl]tetrazol-5-yl]phenoxy]methyl]benzoic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	423.190654301 u
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	CC(NC(=O)CN1N=NC(C2=CC=C(OCC3=CC=C(C=C3)C(OC)=O)C=C2)=N1)(C)C