| SpectraBase Spectrum ID |
I4Gd7R7ttyZ |
| Name |
rel(1'R,2R,2'S)-2-[(2'-Methyl-2'-phenyl)cyclopentyl]-2-phenylthioethyl 3,5-Dinitrobenzoate |
| Alternate Name(s) |
(2R)-2-[(1R,2S)-2-methyl-2-phenylcyclopentyl]-2-(phenylsulfanyl)ethyl 3,5-dinitrobenzoate
rel(1'R,2S,2'S)-2-[(2'-Methyl-2'-phenyl)cyclopentyl]-2-phenylthioethyl 3,5-Dinitrobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H26N2O6S |
| InChI |
InChI=1S/C27H26N2O6S/c1-27(20-9-4-2-5-10-20)14-8-13-24(27)25(36-23-11-6-3-7-12-23)18-35-26(30)19-15-21(28(31)32)17-22(16-19)29(33)34/h2-7,9-12,15-17,24-25H,8,13-14,18H2,1H3/t24-,25-,27+/m0/s1 |
| InChIKey |
AGRCINBCVJKKIS-OHSXHVKISA-N |
| Molecular Weight |
506.573 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)cc(c1)C(OC[C@@]([C@]1([C@@](c2ccccc2)(CCC1)C)[H])(Sc1ccccc1)[H])=O |
| SPLASH |
splash10-054o-4900000000-1a0966ac442c49c97c80 |
| Source of Spectrum |
F-52-7461-10 |
| Wiley ID |
796827 |
![rel(1'R,2R,2'S)-2-[(2'-Methyl-2'-phenyl)cyclopentyl]-2-phenylthioethyl 3,5-Dinitrobenzoate](/api/spectrum/I4Gd7R7ttyZ/structure.png?h=300&w=458 "rel(1'R,2R,2'S)-2-[(2'-Methyl-2'-phenyl)cyclopentyl]-2-phenylthioethyl 3,5-Dinitrobenzoate")
