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 |
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 |