| SpectraBase Compound ID | K0vbBVfjAIg |
|---|---|
| InChI | InChI=1S/C11H15BrN2O3/c1-4-5-17-11-7-9(13(2)3)10(14(15)16)6-8(11)12/h6-7H,4-5H2,1-3H3 |
| InChIKey | ZDCABBNUJCPYII-UHFFFAOYSA-N |
| Mol Weight | 303.16 g/mol |
| Molecular Formula | C11H15BrN2O3 |
| Exact Mass | 302.026605 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4goY8aSTpGN |
|---|---|
| Name | 4-Bromo-2-nitro-5-propoxyaniline, N,N-bis-methyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.026605348 u |
| Formula | C11H15BrN2O3 |
| InChI | InChI=1S/C11H15BrN2O3/c1-4-5-17-11-7-9(13(2)3)10(14(15)16)6-8(11)12/h6-7H,4-5H2,1-3H3 |
| InChIKey | ZDCABBNUJCPYII-UHFFFAOYSA-N |
| SMILES | C1(OCCC)=CC(N(C)C)=C(N(=O)=O)C=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961271 |