| SpectraBase Spectrum ID |
KLeLBXAtqNt |
| Name |
4,6-Octadienal, 8-[(2,4-dinitrophenyl)amino]-3-methoxy-2,4-dimethyl-, [S-[R*,S*-(E,E)]]- |
| Alternate Name(s) |
(2R,3S,4E,6E)-8-(2,4-dinitroanilino)-3-methoxy-2,4-dimethyl-4,6-octadienal
(2R,3S,4E,6E)-8-[(2,4-dinitrophenyl)amino]-3-methoxy-2,4-dimethyl-4,6-octadienal |
| CAS Registry Number |
74189-90-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21N3O6 |
| InChI |
InChI=1S/C17H21N3O6/c1-12(17(26-3)13(2)11-21)6-4-5-9-18-15-8-7-14(19(22)23)10-16(15)20(24)25/h4-8,10-11,13,17-18H,9H2,1-3H3/b5-4+,12-6+/t13-,17+/m0/s1 |
| InChIKey |
NYWNWFWQLZJIGG-UCEFKAAJSA-N |
| Molecular Weight |
363.370 g/mol |
| SMILES |
N(c1c(N(=O)=O)cc(N(=O)=O)cc1)C\C=C\C=C\([C@]([C@](C=O)(C)[H])(OC)[H])C |
| SPLASH |
splash10-0002-0900000000-dfacf86612ee4e024ca2 |
| Source of Spectrum |
I-58-521-0 |
| Wiley ID |
1350167 |
![4,6-Octadienal, 8-[(2,4-dinitrophenyl)amino]-3-methoxy-2,4-dimethyl-, [S-[R*,S*-(E,E)]]-](/api/spectrum/KLeLBXAtqNt/structure.png?h=300&w=458 "4,6-Octadienal, 8-[(2,4-dinitrophenyl)amino]-3-methoxy-2,4-dimethyl-, [S-[R*,S*-(E,E)]]-")
