| SpectraBase Spectrum ID |
3ohL3eitdo |
| Name |
methyl (Z)-2-((2R,7aR)-2,7a-dimethyl-2-(thiophen-2-yl)tetrahydropyrrolo[2,1-b]oxazol-3(2H)-ylidene)ethanoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H19NO3S |
| InChI |
InChI=1S/C15H19NO3S/c1-14-7-5-8-16(14)11(10-13(17)18-3)15(2,19-14)12-6-4-9-20-12/h4,6,9-10H,5,7-8H2,1-3H3/b11-10-/t14-,15-/m1/s1 |
| InChIKey |
VUWDVNVVKOTDGQ-CINZJOAMSA-N |
| Instrument Name |
Shimadzu GC-MS-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202000582 |
| Molecular Weight |
293.381 g/mol |
| Reported Formula |
C15H19NO3S |
| SMILES |
[C@@]1(\C(N2[C@](O1)(CCC2)C)=C\C(OC)=O)(c1cccs1)C |
| SPLASH |
splash10-0006-6690000000-cf03dc89b5ca0c52cd42 |
| Sample Comments |
mixture of two diastereomers, dr = 1:1, dr = 1:1 |
| Source of Spectrum |
U1-2020-SM45-9j |
| Wiley ID |
1860825 |
![methyl (Z)-2-((2R,7aR)-2,7a-dimethyl-2-(thiophen-2-yl)tetrahydropyrrolo[2,1-b]oxazol-3(2H)-ylidene)ethanoate](/api/spectrum/3ohL3eitdo/structure.png?h=300&w=458 "methyl (Z)-2-((2R,7aR)-2,7a-dimethyl-2-(thiophen-2-yl)tetrahydropyrrolo[2,1-b]oxazol-3(2H)-ylidene)ethanoate")
