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Benzoic acid, 4-[2-[(3-chlorophenyl)methyl]-2H-1,2,3,4-tetrazol-5-yl]-, (3-chlorophenyl)methyl ester
SpectraBase Compound ID 6dGdr1szi6V
InChI InChI=1S/C22H16Cl2N4O2/c23-19-5-1-3-15(11-19)13-28-26-21(25-27-28)17-7-9-18(10-8-17)22(29)30-14-16-4-2-6-20(24)12-16/h1-12H,13-14H2
InChIKey FXXZHAJMBFISIL-UHFFFAOYSA-N
Mol Weight 439.3 g/mol
Molecular Formula C22H16Cl2N4O2
Exact Mass 438.065031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rOmypndxtX
Name Benzoic acid, 4-[2-[(3-chlorophenyl)methyl]-2H-1,2,3,4-tetrazol-5-yl]-, (3-chlorophenyl)methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16Cl2N4O2
InChI InChI=1S/C22H16Cl2N4O2/c23-19-5-1-3-15(11-19)13-28-26-21(25-27-28)17-7-9-18(10-8-17)22(29)30-14-16-4-2-6-20(24)12-16/h1-12H,13-14H2
InChIKey FXXZHAJMBFISIL-UHFFFAOYSA-N
Molecular Weight 439.302 g/mol
SMILES c1c(COC(c2ccc(-c3nn[n](n3)Cc3cccc(c3)Cl)cc2)=O)cc(cc1)Cl
SPLASH splash10-004i-4911000000-3a8428b4f457f925fe5b
Source of Spectrum IY-1-4630-0
Synonyms 4-[2-[(3-chlorophenyl)methyl]-5-tetrazolyl]benzoic acid (3-chlorophenyl)methyl ester (3-chlorophenyl)methyl 4-[2-[(3-chlorophenyl)methyl]tetrazol-5-yl]benzoate (3-chlorophenyl)methyl 4-[2-[(3-chlorophenyl)methyl]-1,2,3,4-tetrazol-5-yl]benzoate
Wiley ID 1654283