SpectraBase Compound ID | 8rIKjfjBvoS |
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InChI | InChI=1S/C14H18ClN3O3/c15-10-14(19)16-12-9-11(18(20)21)5-6-13(12)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,16,19) |
InChIKey | ADTPEACMVYGCOC-UHFFFAOYSA-N |
Mol Weight | 311.77 g/mol |
Molecular Formula | C14H18ClN3O3 |
Exact Mass | 311.103669 g/mol |
SpectraBase Spectrum ID | Az3mFUae1HN |
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Name | N-[2-(1-Azepanyl)-5-nitrophenyl]-2-chloroacetamide |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 311.103669149 u |
Formula | C14H18ClN3O3 |
InChI | InChI=1S/C14H18ClN3O3/c15-10-14(19)16-12-9-11(18(20)21)5-6-13(12)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,16,19) |
InChIKey | ADTPEACMVYGCOC-UHFFFAOYSA-N |
Molecular Weight | 311.769 g/mol |
SMILES | C(CCl)(=O)NC=1C(=CC=C(C1)N(=O)=O)N1CCCCCC1 |