| SpectraBase Spectrum ID |
JMhR4Yn4CCP |
| Name |
Methyl 4-(butylamino)-3-nitro-benzoate |
| Appearance |
Bright yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16N2O4 |
| InChI |
InChI=1S/C12H16N2O4/c1-3-4-7-13-10-6-5-9(12(15)18-2)8-11(10)14(16)17/h5-6,8,13H,3-4,7H2,1-2H3 |
| InChIKey |
QGEXRMYIFRHRCZ-UHFFFAOYSA-N |
| Instrument Name |
Varian GCMS Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201812068 |
| Molecular Weight |
252.270 g/mol |
| Reported Formula |
C12H15N2O4 |
| SMILES |
N(c1c(cc(cc1)C(OC)=O)[N+]([O-])=O)CCCC |
| SPLASH |
splash10-0pb9-0390000000-c42b0fbec11e66e75f81 |
| Source of Spectrum |
ACI-58-SM21-3fh |
| Wiley ID |
1840449 |
