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3-Bromo-3-(3-nitrophenyl)propanoic acid
SpectraBase Compound ID SWLI5GN0kr
InChI InChI=1S/C9H8BrNO4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5H2,(H,12,13)
InChIKey DEKRYHWYJDKPOF-UHFFFAOYSA-N
Mol Weight 274.07 g/mol
Molecular Formula C9H8BrNO4
Exact Mass 272.963671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5A0zCrIn7A
Name 3-Bromo-3-(3-nitrophenyl)propanoic acid
Alternate Name(s) 3-Bromanyl-3-(3-nitrophenyl)propanoic acid 3-Bromo-3-(3-nitrophenyl)propionic acid Benzenepropanoic acid, .beta.-bromo-3-nitro-
CAS Registry Number 5411-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8BrNO4
InChI InChI=1S/C9H8BrNO4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5H2,(H,12,13)
InChIKey DEKRYHWYJDKPOF-UHFFFAOYSA-N
Molecular Weight 274.070 g/mol
SMILES OC(CC(c1cc(ccc1)N(=O)=O)Br)=O
SPLASH splash10-0ufr-9700000000-6cde69e59844ebb3ab60
Wiley ID 1481377