SpectraBase Compound ID | 2GhzXcvN3gU |
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InChI | InChI=1S/C18H17NO6/c1-2-24-17(20)14-8-4-5-9-15(14)18(21)25-12-11-13-7-3-6-10-16(13)19(22)23/h3-10H,2,11-12H2,1H3 |
InChIKey | OEXKKYRNHNMOOZ-UHFFFAOYSA-N |
Mol Weight | 343.34 g/mol |
Molecular Formula | C18H17NO6 |
Exact Mass | 343.105587 g/mol |
SpectraBase Spectrum ID | 3p4x6wgDI6m |
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Name | Phthalic acid, ethyl 2-(2-nitrophenyl)ethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 343.105587265 u |
Formula | C18H17NO6 |
InChI | InChI=1S/C18H17NO6/c1-2-24-17(20)14-8-4-5-9-15(14)18(21)25-12-11-13-7-3-6-10-16(13)19(22)23/h3-10H,2,11-12H2,1H3 |
InChIKey | OEXKKYRNHNMOOZ-UHFFFAOYSA-N |
Molecular Weight | 343.335 g/mol |
SMILES | C(C1=CC=CC=C1C(OCCC1=CC=CC=C1N(=O)=O)=O)(OCC)=O |