| SpectraBase Compound ID | EDNBTnrwejP |
|---|---|
| InChI | InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3 |
| InChIKey | CRZGFIMLHZTLGT-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JVx2xFEisEq |
|---|---|
| Name | BENZOIC ACID, 2-METHYL-3-NITRO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3 |
| InChIKey | CRZGFIMLHZTLGT-UHFFFAOYSA-N |
| Molecular Weight | 195.0529 |
| SMILES | COC(c1c(C)c(N(=O)=O)ccc1)=O |
| SPLASH | splash10-02bf-9700000000-1cb7a8ccf6912fac9381 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |