| SpectraBase Spectrum ID |
GPFeL9TgIIJ |
| Name |
2-Propenethioic acid, 3-[2-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]-1-methyl-5-oxocyclopentyl]-, S-(1,1-dimethylethyl) ester, [1.alpha.(E),2.beta.(1S*,2E)]-(.+-.)- |
| CAS Registry Number |
131228-01-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H35O3PS |
| InChI |
InChI=1S/C29H35O3PS/c1-22(25-16-17-26(30)29(25,5)20-18-27(31)34-28(2,3)4)19-21-33(32,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,18-22,25H,16-17H2,1-5H3/b20-18+,21-19-/t22?,25-,29+/m0/s1 |
| InChIKey |
CWICHDLIBDVKAZ-PBOUOGJBSA-N |
| Molecular Weight |
494.630 g/mol |
| SMILES |
[C@]1(\C=C\C(SC(C)(C)C)=O)([C@@](CCC1=O)(C(\C=C/P(=O)(c1ccccc1)c1ccccc1)C)[H])C |
| SPLASH |
splash10-0pdi-6090200000-cf44a0cd6a40b41632dd |
| Source of Spectrum |
B-43-1386-8 |
| Synonyms |
2-Methylcyclopent-2-enone and S-t-butyl (E)-3-t-(butylsulfonyl)propenethioate
S-(tert-butyl) (2E)-3-{(1R,2S)-2-[(2Z)-3-(diphenylphosphoryl)-1-methyl-2-propenyl]-1-methyl-5-oxocyclopentyl}-2-propenethioate |
| Wiley ID |
1397955 |
![2-Propenethioic acid, 3-[2-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]-1-methyl-5-oxocyclopentyl]-, S-(1,1-dimethylethyl) ester, [1.alpha.(E),2.beta.(1S*,2E)]-(.+-.)-](/api/spectrum/GPFeL9TgIIJ/structure.png?h=300&w=458 "2-Propenethioic acid, 3-[2-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]-1-methyl-5-oxocyclopentyl]-, S-(1,1-dimethylethyl) ester, [1.alpha.(E),2.beta.(1S*,2E)]-(.+-.)-")
