| SpectraBase Spectrum ID |
IvER7eZ8QE3 |
| Name |
5'-(Hydroxymethyl)-5-[butyl-3"-en-1"-yn]-2,2'-bithiophene - Isovaleroxy Ester |
| Alternate Name(s) |
3-methylbutanoic acid [5-(5-but-3-en-1-ynyl-2-thiophenyl)-2-thiophenyl]methyl ester
[5-(5-but-3-en-1-ynyl-2-thienyl)-2-thienyl]methyl 3-methylbutanoate
[5-(5-but-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methyl 3-methylbutanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18O2S2 |
| InChI |
InChI=1S/C18H18O2S2/c1-4-5-6-14-7-9-16(21-14)17-10-8-15(22-17)12-20-18(19)11-13(2)3/h4,7-10,13H,1,11-12H2,2-3H3 |
| InChIKey |
ABERUZRGTVCXIS-UHFFFAOYSA-N |
| Molecular Weight |
330.460 g/mol |
| SMILES |
c1(-c2sc(C#CC=C)cc2)sc(COC(=O)CC(C)C)cc1 |
| SPLASH |
splash10-004i-0094000000-e008d8f083296b763fb1 |
| Source of Spectrum |
G4-58-1429-2 |
| Wiley ID |
1606044 |
![5'-HYDROXYMETHYL-5-[BUTYL-3-EN-1-YN]-2,2'-BITHIOPHENE-ISOVALEROXY-ESTER](/api/spectrum/IvER7eZ8QE3/structure.png?h=300&w=458 "5'-HYDROXYMETHYL-5-[BUTYL-3-EN-1-YN]-2,2'-BITHIOPHENE-ISOVALEROXY-ESTER")
