SpectraBase Compound ID | D19XoIFjYkc |
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InChI | InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3 |
InChIKey | AXLYJLKKPUICKV-UHFFFAOYSA-N |
Mol Weight | 181.15 g/mol |
Molecular Formula | C8H7NO4 |
Exact Mass | 181.037508 g/mol |
SpectraBase Spectrum ID | Iumi9JhEeo0 |
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Name | Methyl 3-nitrobenzoate |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 155977 |
CAS Registry Number | 618-95-1 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C8H7NO4 |
InChI | InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3 |
InChIKey | AXLYJLKKPUICKV-UHFFFAOYSA-N |
Observed nucleus | 1H |
Purity | 99% |
Solvent | CDCl3 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_1HNMR_001684 |