| SpectraBase Spectrum ID |
6BGn0sqpkFs |
| Name |
Benzoic acid, 3-[1,1,2-triethyl-2-(4-nitrophenyl)butyl]-, methyl ester |
| CAS Registry Number |
128270-81-5 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H31NO4 |
| InChI |
InChI=1S/C24H31NO4/c1-6-23(7-2,19-13-15-21(16-14-19)25(27)28)24(8-3,9-4)20-12-10-11-18(17-20)22(26)29-5/h10-17H,6-9H2,1-5H3 |
| InChIKey |
ZCMHZQMJFJDXKK-UHFFFAOYSA-N |
| Molecular Weight |
397.515 g/mol |
| SMILES |
c1(N(=O)=O)ccc(C(C(c2cc(C(=O)OC)ccc2)(CC)CC)(CC)CC)cc1 |
| SPLASH |
splash10-07dn-1901000000-b3ea2857805111076cc6 |
| Source of Spectrum |
J-55-4557-1 |
| Synonyms |
3,4-Diethyl-3-(4'-nitrophenyl)-4-(3''-(methoxycarbonyl)-phenyl]hexane
Methyl 3-[1,1,2-triethyl-2-(4-nitrophenyl)butyl]benzoate |
| Wiley ID |
1368058 |
![Benzoic acid, 3-[1,1,2-triethyl-2-(4-nitrophenyl)butyl]-, methyl ester](/api/spectrum/6BGn0sqpkFs/structure.png?h=300&w=458 "Benzoic acid, 3-[1,1,2-triethyl-2-(4-nitrophenyl)butyl]-, methyl ester")
