SpectraBase Compound ID | oMFpbI0NBy |
---|---|
InChI | InChI=1S/C16H20N2O6/c1-2-3-4-5-6-7-8-9-24-16(19)13-10-14(17(20)21)12-15(11-13)18(22)23/h6-7,10-12H,2-5,8-9H2,1H3/b7-6- |
InChIKey | NGPMTKXASHVMHN-SREVYHEPSA-N |
Mol Weight | 336.34 g/mol |
Molecular Formula | C16H20N2O6 |
Exact Mass | 336.132136 g/mol |
SpectraBase Spectrum ID | DUXXNrpe7ik |
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Name | (Z)-non-3-Enyl 3,5-dinitrobenzoate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 336.132136366 u |
Formula | C16H20N2O6 |
InChI | InChI=1S/C16H20N2O6/c1-2-3-4-5-6-7-8-9-24-16(19)13-10-14(17(20)21)12-15(11-13)18(22)23/h6-7,10-12H,2-5,8-9H2,1H3/b7-6- |
InChIKey | NGPMTKXASHVMHN-SREVYHEPSA-N |
Molecular Weight | 336.344 g/mol |
SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCC\C=C/CCCCC |