| SpectraBase Spectrum ID |
J2grlClr03B |
| Name |
(Z)-2-((5S,7aS)-2,2,7,7-Tetramethyl-7a-phenyl-5-(propylthio)tetrahydropyrrolo[2,1-b]oxazol-3(2H)-ylidene)acetonitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28N2OS |
| InChI |
InChI=1S/C21H28N2OS/c1-6-14-25-18-15-19(2,3)21(16-10-8-7-9-11-16)23(18)17(12-13-22)20(4,5)24-21/h7-12,18H,6,14-15H2,1-5H3/b17-12-/t18-,21+/m0/s1 |
| InChIKey |
JPDGJEPKZKEFTB-MGCMCSNESA-N |
| Instrument Name |
Shimadzu GC-MS-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202000582 |
| Molecular Weight |
356.528 g/mol |
| Reported Formula |
C21H28N2OS |
| SMILES |
C(\C=C/1N2[C@@](SCCC)(CC([C@]2(OC1(C)C)c1ccccc1)(C)C)[H])#N |
| SPLASH |
splash10-053r-8980000000-c1ee6ffd6bc3fccda695 |
| Source of Spectrum |
U1-2020-SM11-3e |
| Wiley ID |
1860811 |
![(Z)-2-((5S,7aS)-2,2,7,7-Tetramethyl-7a-phenyl-5-(propylthio)tetrahydropyrrolo[2,1-b]oxazol-3(2H)-ylidene)acetonitrile](/api/spectrum/J2grlClr03B/structure.png?h=300&w=458 "(Z)-2-((5S,7aS)-2,2,7,7-Tetramethyl-7a-phenyl-5-(propylthio)tetrahydropyrrolo[2,1-b]oxazol-3(2H)-ylidene)acetonitrile")
