| SpectraBase Spectrum ID |
2V2se3hT96 |
| Name |
Benzeneacetic acid, 5-hydroxy-4-methoxy-2-(3-nitro-1-oxopropyl)-, methyl ester |
| CAS Registry Number |
40992-01-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15NO7 |
| InChI |
InChI=1S/C13H15NO7/c1-20-12-7-9(10(15)3-4-14(18)19)8(5-11(12)16)6-13(17)21-2/h5,7,16H,3-4,6H2,1-2H3 |
| InChIKey |
RAKCCERZEBHEDL-UHFFFAOYSA-N |
| Molecular Weight |
297.263 g/mol |
| SMILES |
Oc1cc(CC(=O)OC)c(cc1OC)C(CCN(=O)=O)=O |
| SPLASH |
splash10-0abm-7930000000-98d03f29f4257821f96d |
| Source of Spectrum |
B-26-1075-14 |
| Synonyms |
Methyl [5-hydroxy-4-methoxy-2-(3-nitropropanoyl)phenyl]acetate
2-[5-hydroxy-4-methoxy-2-(3-nitro-1-oxopropyl)phenyl]acetic acid methyl ester
2-[5-hydroxy-4-methoxy-2-(3-nitropropanoyl)phenyl]acetic acid methyl ester
Methyl 2-[4-methoxy-2-(3-nitropropanoyl)-5-oxidanyl-phenyl]ethanoate
Methyl 2-[5-hydroxy-4-methoxy-2-(3-nitropropanoyl)phenyl]acetate |
| Wiley ID |
1299955 |
