SpectraBase Compound ID | 8GeYqThWtJA |
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InChI | InChI=1S/C6H6N2O2.ClH/c7-5-2-1-3-6(4-5)8(9)10;/h1-4H,7H2;1H |
InChIKey | FWUUMDDHHPVSPL-UHFFFAOYSA-N |
Mol Weight | 174.59 g/mol |
Molecular Formula | C6H7ClN2O2 |
Exact Mass | 174.019605 g/mol |
SpectraBase Spectrum ID | 9l8bs1AscRe |
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Name | m-Nitroaniline, hydrochloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 174.019605171 u |
Formula | C6H7ClN2O2 |
InChI | InChI=1S/C6H6N2O2.ClH/c7-5-2-1-3-6(4-5)8(9)10;/h1-4H,7H2;1H |
InChIKey | FWUUMDDHHPVSPL-UHFFFAOYSA-N |
SMILES | Cl.NC1=CC=CC(=C1)N(=O)=O |
Spectrum/Structure Validation Score (Raman) | 0.957195 |