For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzoic acid, 3-[2-[(3-chlorophenyl)methyl]-2H-1,2,3,4-tetrazol-5-yl]-, (3-chlorophenyl)methyl ester
SpectraBase Compound ID EOsAy9pSA3Y
InChI InChI=1S/C22H16Cl2N4O2/c23-19-8-1-4-15(10-19)13-28-26-21(25-27-28)17-6-3-7-18(12-17)22(29)30-14-16-5-2-9-20(24)11-16/h1-12H,13-14H2
InChIKey XAGXFQFWPBUZLD-UHFFFAOYSA-N
Mol Weight 439.3 g/mol
Molecular Formula C22H16Cl2N4O2
Exact Mass 438.065031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4lqZAUbhw8z
Name Benzoic acid, 3-[2-[(3-chlorophenyl)methyl]-2H-1,2,3,4-tetrazol-5-yl]-, (3-chlorophenyl)methyl ester
Alternate Name(s) 3-[2-[(3-chlorophenyl)methyl]-5-tetrazolyl]benzoic acid (3-chlorophenyl)methyl ester (3-chlorophenyl)methyl 3-[2-[(3-chlorophenyl)methyl]tetrazol-5-yl]benzoate (3-chlorophenyl)methyl 3-[2-[(3-chlorophenyl)methyl]-1,2,3,4-tetrazol-5-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16Cl2N4O2
InChI InChI=1S/C22H16Cl2N4O2/c23-19-8-1-4-15(10-19)13-28-26-21(25-27-28)17-6-3-7-18(12-17)22(29)30-14-16-5-2-9-20(24)11-16/h1-12H,13-14H2
InChIKey XAGXFQFWPBUZLD-UHFFFAOYSA-N
Molecular Weight 439.302 g/mol
SMILES c1(cccc(-c2nn[n](n2)Cc2cccc(c2)Cl)c1)C(OCc1cc(ccc1)Cl)=O
SPLASH splash10-004i-5910000000-65fe3717cd125f320b36
Source of Spectrum IY-1-4629-7
Wiley ID 1654280