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

*Links on SpectraBase are not permalinks.
4-Chlorobenzyl 3,5-dinitrobenzoate
SpectraBase Compound ID 6YH8cxX1xXx
InChI InChI=1S/C14H9ClN2O6/c15-11-3-1-9(2-4-11)8-23-14(18)10-5-12(16(19)20)7-13(6-10)17(21)22/h1-7H,8H2
InChIKey QNIUGMTXWQOPIQ-UHFFFAOYSA-N
Mol Weight 336.69 g/mol
Molecular Formula C14H9ClN2O6
Exact Mass 336.014914 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 4dhru7ApTYt
Name 4-Chlorobenzyl 3,5-dinitrobenzoate
CAS Registry Number 339250-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9ClN2O6
InChI InChI=1S/C14H9ClN2O6/c15-11-3-1-9(2-4-11)8-23-14(18)10-5-12(16(19)20)7-13(6-10)17(21)22/h1-7H,8H2
InChIKey QNIUGMTXWQOPIQ-UHFFFAOYSA-N
Molecular Weight 336.687 g/mol
SMILES c1cc(Cl)ccc1COC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O
SPLASH splash10-004i-7900000000-21764fb60cc50fd27f08
Synonyms (4-chlorophenyl)methyl 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid (4-chlorobenzyl) ester 3,5-Dinitrobenzoic acid (4-chlorophenyl)methyl ester
Wiley ID 1461851