| SpectraBase Spectrum ID |
2idxkjlh1p5 |
| Name |
2-[[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)-1-cyclopent-2-enyl]thio]acetic acid methyl ester |
| CAS Registry Number |
132672-35-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O2S |
| InChI |
InChI=1S/C16H18O2S/c1-5-14-13(8-6-7-12(2)3)9-10-15(14)19-11-16(17)18-4/h1,8,15H,9-11H2,2-4H3 |
| InChIKey |
BRXFDRYZXDBDPU-UHFFFAOYSA-N |
| Molecular Weight |
274.378 g/mol |
| SMILES |
C1(=C(C=C=C=C(C)C)CCC1SCC(=O)OC)C#C |
| SPLASH |
splash10-00di-0090000000-898bfa15156d1c4e2a78 |
| Source of Spectrum |
J-56-1689-5 |
| Synonyms |
2-[[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)cyclopent-2-en-1-yl]thio]acetic acid methyl ester
methyl 2-[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)cyclopent-2-en-1-yl]sulfanylacetate
methyl 2-[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)cyclopent-2-en-1-yl]sulfanylethanoate |
| Wiley ID |
1278181 |
![methyl 2-[[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)-1-cyclopent-2-enyl]sulfanyl]acetate](/api/spectrum/2idxkjlh1p5/structure.png?h=300&w=458 "methyl 2-[[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)-1-cyclopent-2-enyl]sulfanyl]acetate")
