| SpectraBase Spectrum ID |
ATHe317fayU |
| Name |
(1S,2S)-3-Phenyl-4-phenylethynyl-cyclobut-3-ene-1,2-dicarboxylic acid dimethyl ester |
| Alternate Name(s) |
Dimethyl (1S,2S)-3-phenyl-4-(phenylethynyl)-3-cyclobutene-1,2-dicarboxylate
Dimethyl 3-phenyl-4-(2-phenylethynyl)cyclobutane-1,2-dicarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18O4 |
| InChI |
InChI=1S/C22H18O4/c1-25-21(23)19-17(14-13-15-9-5-3-6-10-15)18(20(19)22(24)26-2)16-11-7-4-8-12-16/h3-12,19-20H,1-2H3/t19-,20-/m1/s1 |
| InChIKey |
TUPJBQMNXAQBFR-WOJBJXKFSA-N |
| Molecular Weight |
346.382 g/mol |
| SMILES |
C1(=C(c2ccccc2)[C@]([C@@]1(C(=O)OC)[H])(C(=O)OC)[H])C#Cc1ccccc1 |
| SPLASH |
splash10-02ti-0094000000-55132a4275ff0349d081 |
| Source of Spectrum |
QB-14-508-1 |
| Wiley ID |
841134 |
