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Benzoic acid, 4-amino-3-bromo-, octadecyl ester
SpectraBase Compound ID 9FxeXZjGyer
InChI InChI=1S/C25H42BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25(28)22-18-19-24(27)23(26)21-22/h18-19,21H,2-17,20,27H2,1H3
InChIKey YZBABGRDCYZJBQ-UHFFFAOYSA-N
Mol Weight 468.5 g/mol
Molecular Formula C25H42BrNO2
Exact Mass 467.239893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7f34L6un0JK
Name Benzoic acid, 4-amino-3-bromo-, octadecyl ester
Alternate Name(s) Octadecyl 4-amino-3-bromobenzoate 4-Amino-3-bromobenzoic acid octadecyl ester Octadecyl 4-amino-3-bromo-benzoate Octadecyl 4-azanyl-3-bromanyl-benzoate
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Formula C25H42BrNO2
InChI InChI=1S/C25H42BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25(28)22-18-19-24(27)23(26)21-22/h18-19,21H,2-17,20,27H2,1H3
InChIKey YZBABGRDCYZJBQ-UHFFFAOYSA-N
Molecular Weight 468.520 g/mol
SMILES Nc1ccc(C(OCCCCCCCCCCCCCCCCCC)=O)cc1Br
SPLASH splash10-014i-6290000000-8998f09cb468bed46494
Source of Spectrum JX-2015-4-757
Wiley ID 1726177