| SpectraBase Spectrum ID |
LGKUq2MDhBq |
| Name |
Benzene, [4,4-dimethyl-1-(1-nitroethyl)-2-pentenyl]-, [R*,S*-(E)]- |
| Alternate Name(s) |
Threo-2,2-dimethyl-6-nitro-5-phenylhept-3-ene
{(1S,2E)-4,4-dimethyl-1-[(1R)-1-nitroethyl]-2-pentenyl}benzene |
| CAS Registry Number |
119729-89-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-12(16(17)18)14(10-11-15(2,3)4)13-8-6-5-7-9-13/h5-12,14H,1-4H3/b11-10+/t12-,14-/m1/s1 |
| InChIKey |
GWCLDLWXQVCSSH-KCHUQEOMSA-N |
| Molecular Weight |
247.338 g/mol |
| SMILES |
[C@@](N(=O)=O)([C@@](\C=C\C(C)(C)C)(c1ccccc1)[H])(C)[H] |
| SPLASH |
splash10-053f-2910000000-91ed85fd1b6f414529ff |
| Source of Spectrum |
F-43-5415-3 |
| Wiley ID |
1250147 |
![Benzene, [4,4-dimethyl-1-(1-nitroethyl)-2-pentenyl]-, [R*,S*-(E)]-](/api/spectrum/LGKUq2MDhBq/structure.png?h=300&w=458 "Benzene, [4,4-dimethyl-1-(1-nitroethyl)-2-pentenyl]-, [R*,S*-(E)]-")
