| SpectraBase Compound ID | CGt9rAo1lGC |
|---|---|
| InChI | InChI=1S/C20H21NO8/c1-12(22)16(29-20(23)13-5-7-15(8-6-13)21(24)25)9-14-10-18(27-3)19(28-4)11-17(14)26-2/h5-8,10-11,16H,9H2,1-4H3 |
| InChIKey | JZGLCEDOYLTILR-UHFFFAOYSA-N |
| Mol Weight | 403.39 g/mol |
| Molecular Formula | C20H21NO8 |
| Exact Mass | 403.126717 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IqTPmDqbaNz |
|---|---|
| Name | 4-(2",4",5"-Trimethoxyphenyl)-3-(p-nitrobenzoyloxy)-2-butanone |
| Alternate Name(s) | 2-Oxo-1-(2,4,5-trimethoxybenzyl)propyl 4-nitrobenzoate 4-Nitrobenzoic acid[2-keto-1-(2,4,5-trimethoxybenzyl)propyl]ester 4-Nitrobenzoic acid[3-oxo-1-(2,4,5-trimethoxyphenyl)butan-2-yl]ester [2-oxo-1-[(2,4,5-trimethoxyphenyl)methyl]propyl]4-nitrobenzoate [3-oxidanylidene-1-(2,4,5-trimethoxyphenyl)butan-2-yl]4-nitrobenzoate [3-oxo-1-(2,4,5-trimethoxyphenyl)butan-2-yl]4-nitrobenzoate 4-Nitrobenzoic acid [3-oxo-1-(2,4,5-trimethoxyphenyl)butan-2-yl] ester [3-oxo-1-(2,4,5-trimethoxyphenyl)butan-2-yl] 4-nitrobenzoate [2-oxo-1-[(2,4,5-trimethoxyphenyl)methyl]propyl] 4-nitrobenzoate [3-oxidanylidene-1-(2,4,5-trimethoxyphenyl)butan-2-yl] 4-nitrobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H21NO8 |
| InChI | InChI=1S/C20H21NO8/c1-12(22)16(29-20(23)13-5-7-15(8-6-13)21(24)25)9-14-10-18(27-3)19(28-4)11-17(14)26-2/h5-8,10-11,16H,9H2,1-4H3 |
| InChIKey | JZGLCEDOYLTILR-UHFFFAOYSA-N |
| Molecular Weight | 403.387 g/mol |
| SMILES | c1(N(=O)=O)ccc(C(OC(Cc2c(cc(c(c2)OC)OC)OC)C(=O)C)=O)cc1 |
| SPLASH | splash10-0kai-0930000000-38bae9ebe2738df5e920 |
| Source of Spectrum | MZ-34-2729-17 |
| Wiley ID | 1582532 |