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4-Nitro-benzoic acid 4-bromo-phenyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4-Nitro-benzoic acid 4-bromo-phenyl ester
SpectraBase Compound ID 1yfwvtEcRBY
InChI InChI=1S/C13H8BrNO4/c14-10-3-7-12(8-4-10)19-13(16)9-1-5-11(6-2-9)15(17)18/h1-8H
InChIKey PCSBEINDFQJBPT-UHFFFAOYSA-N
Mol Weight 322.11 g/mol
Molecular Formula C13H8BrNO4
Exact Mass 320.963671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5b2jsFSZlzP
Name 4-Bromophenyl 4-nitrobenzoate
CAS Registry Number 36718-65-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8BrNO4
InChI InChI=1S/C13H8BrNO4/c14-10-3-7-12(8-4-10)19-13(16)9-1-5-11(6-2-9)15(17)18/h1-8H
InChIKey PCSBEINDFQJBPT-UHFFFAOYSA-N
Molecular Weight 322.114 g/mol
SMILES c1(C(Oc2ccc(Br)cc2)=O)ccc(N(=O)=O)cc1
SPLASH splash10-0udi-2900000000-5f938f9775374cf8a0ef
Synonyms 4-Nitrobenzoic acid (4-bromophenyl) ester
Wiley ID 1458156