| SpectraBase Spectrum ID |
9b4ZPBPYPvE |
| Name |
Methyl 4-methoxy-3-nitrobenzoate |
| CAS Registry Number |
40757-20-8 |
| Comments |
Edited after expert review for air contamination - Original record with SpectrumID 1720053 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H9NO5 |
| InChI |
InChI=1S/C9H9NO5/c1-14-8-4-3-6(9(11)15-2)5-7(8)10(12)13/h3-5H,1-2H3 |
| InChIKey |
ZUZYMTBOKNSYEB-UHFFFAOYSA-N |
| Molecular Weight |
211.173 g/mol |
| SMILES |
COC(=O)c1ccc(OC)c(c1)[N+]([O-])=O |
| SPLASH |
splash10-06si-2900000000-d84966d995f55937d824 |
| Source of Spectrum |
JX-2015-0-62 |
| Synonyms |
Benzoic acid, 4-methoxy-5-nitro-, methyl ester
4-Methoxy-3-nitrobenzoic acid methyl ester
Methyl 4-methoxy-3-nitro-benzoate |
| Wiley ID |
1820790 |
