SpectraBase Compound ID | EDpm6Jnl1IN |
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InChI | InChI=1S/C10H13BrClNO/c1-4-14-10-8(11)5-7(13(2)3)6-9(10)12/h5-6H,4H2,1-3H3 |
InChIKey | BVZOXYIRHOEOLM-UHFFFAOYSA-N |
Mol Weight | 278.58 g/mol |
Molecular Formula | C10H13BrClNO |
Exact Mass | 276.986905 g/mol |
SpectraBase Spectrum ID | gIREpm02Mv |
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Name | 3-Bromo-5-chloro-4-ethoxyaniline, N,N-dimethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 276.986904742 u |
Formula | C10H13BrClNO |
InChI | InChI=1S/C10H13BrClNO/c1-4-14-10-8(11)5-7(13(2)3)6-9(10)12/h5-6H,4H2,1-3H3 |
InChIKey | BVZOXYIRHOEOLM-UHFFFAOYSA-N |
SMILES | C1(N(C)C)=CC(=C(C(=C1)Cl)OCC)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946666 |