| SpectraBase Spectrum ID |
2liUEDDmZ5A |
| Name |
Benzoic acid, 4-nitro-, ethyl ester |
| CAS Registry Number |
99-77-4 |
| Comments |
Note: The molecular formula of the structure shown is C9H9NO4 - which differs from the formula reported for the mass spectrum (C9H8DNO4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H8DNO4 |
| InChI |
InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3 |
| InChIKey |
PHWSCBWNPZDYRI-UHFFFAOYSA-N |
| Molecular Weight |
195.174 g/mol |
| SMILES |
c1(ccc(cc1)N(=O)=O)C(=O)OCC |
| SPLASH |
splash10-0udi-5900000000-be7c382ecaae401adaa9 |
| Synonyms |
4-(Ethoxycarbonyl)nitrobenzene
Ethyl 4-nitrobenzoate
Benzoic acid, p-nitro-, ethyl ester
Ethyl nitrobenzoate, para ester
Ethyl para-nitrobenzoate
p-Nitrobenzoic acid, ethyl ester
AI3-08652
BRN 1912879
EINECS 202-786-2
NSC 6763 |
| Wiley ID |
1480910 |
