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2-Bromo-4-methylphenyl 2-nitrobenzoate
SpectraBase Compound ID GYrpMmyvrmP
InChI InChI=1S/C14H10BrNO4/c1-9-6-7-13(11(15)8-9)20-14(17)10-4-2-3-5-12(10)16(18)19/h2-8H,1H3
InChIKey GWWHSLCVPYBDPI-UHFFFAOYSA-N
Mol Weight 336.14 g/mol
Molecular Formula C14H10BrNO4
Exact Mass 334.979321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SoCEVVvNy5
Name 2-Bromo-4-methylphenyl 2-nitrobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.979320802 u
Formula C14H10BrNO4
InChI InChI=1S/C14H10BrNO4/c1-9-6-7-13(11(15)8-9)20-14(17)10-4-2-3-5-12(10)16(18)19/h2-8H,1H3
InChIKey GWWHSLCVPYBDPI-UHFFFAOYSA-N
Molecular Weight 336.141 g/mol
SMILES C(OC1=C(Br)C=C(C=C1)C)(=O)C1=C(N(=O)=O)C=CC=C1