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4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoic acid
SpectraBase Compound ID APCvDbsP4f0
InChI InChI=1S/C11H12BrNO6/c1-18-9-5-7(11(14)15)8(13(16)17)6-10(9)19-4-2-3-12/h5-6H,2-4H2,1H3,(H,14,15)
InChIKey VIIXBOIXLOOVQC-UHFFFAOYSA-N
Mol Weight 334.12 g/mol
Molecular Formula C11H12BrNO6
Exact Mass 332.9848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aaw8ZtjHPbm
Name 4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoic acid
Alternate Name(s) 4-(3-bromanylpropoxy)-5-methoxy-2-nitro-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12BrNO6
InChI InChI=1S/C11H12BrNO6/c1-18-9-5-7(11(14)15)8(13(16)17)6-10(9)19-4-2-3-12/h5-6H,2-4H2,1H3,(H,14,15)
InChIKey VIIXBOIXLOOVQC-UHFFFAOYSA-N
Molecular Weight 334.122 g/mol
SMILES OC(=O)c1c(cc(OCCCBr)c(c1)OC)N(=O)=O
SPLASH splash10-006x-9511000000-b6dca431d23f9a6a1964
Source of Spectrum IY-2-5128-9
Wiley ID 1659272