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3-Bromobenzoic acid, 4-cyanophenyl ester
SpectraBase Compound ID 4TtoPn2ZjYZ
InChI InChI=1S/C14H8BrNO2/c15-12-3-1-2-11(8-12)14(17)18-13-6-4-10(9-16)5-7-13/h1-8H
InChIKey ZMVITGJZOFYUBU-UHFFFAOYSA-N
Mol Weight 302.13 g/mol
Molecular Formula C14H8BrNO2
Exact Mass 300.973841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31Bbvv5YlE
Name 3-Bromobenzoic acid, 4-cyanophenyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8BrNO2
InChI InChI=1S/C14H8BrNO2/c15-12-3-1-2-11(8-12)14(17)18-13-6-4-10(9-16)5-7-13/h1-8H
InChIKey ZMVITGJZOFYUBU-UHFFFAOYSA-N
Molecular Weight 302.127 g/mol
SMILES c1(cccc(c1)C(Oc1ccc(C#N)cc1)=O)Br
SPLASH splash10-0540-2900000000-7475758332f9c5ae7d6b
Source of Spectrum NP-10-1432-0
Synonyms (4-cyanophenyl) 3-bromobenzoate (4-cyanophenyl) 3-bromanylbenzoate
Wiley ID 1108680