SpectraBase Compound ID | 5rhEHe54Sk9 |
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InChI | InChI=1S/C13H17N3O4/c1-20-13(17)10-14-6-8-15(9-7-14)11-2-4-12(5-3-11)16(18)19/h2-5H,6-10H2,1H3 |
InChIKey | TXNRJKGMKYMMGT-UHFFFAOYSA-N |
Mol Weight | 279.3 g/mol |
Molecular Formula | C13H17N3O4 |
Exact Mass | 279.121906 g/mol |
SpectraBase Spectrum ID | CMKlun6E13I |
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Name | [4-(4-Nitro-phenyl)-piperazin-1-yl]-acetic acid, methyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 279.121906035 u |
Formula | C13H17N3O4 |
InChI | InChI=1S/C13H17N3O4/c1-20-13(17)10-14-6-8-15(9-7-14)11-2-4-12(5-3-11)16(18)19/h2-5H,6-10H2,1H3 |
InChIKey | TXNRJKGMKYMMGT-UHFFFAOYSA-N |
SMILES | C1N(CCN(C1)CC(=O)OC)C=1C=CC(=CC1)N(=O)=O |