| SpectraBase Spectrum ID |
2CraaOVRanY |
| Name |
(1S,7aS)-1-Hydroxy-2-((S)-1-phenylbut-3-yn-2-yl)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18N2O2 |
| InChI |
InChI=1S/C16H18N2O2/c1-2-13(11-12-7-4-3-5-8-12)18-15(19)14-9-6-10-17(14)16(18)20/h1,3-5,7-8,13-15,19H,6,9-11H2/t13-,14+,15+/m1/s1 |
| InChIKey |
CRULWBIECWPNRM-ILXRZTDVSA-N |
| Instrument Name |
Micromass GCT |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202000574 |
| Molecular Weight |
270.332 g/mol |
| Optical Rotation |
[a]D = -78.7 (c = 1.03, acetone) |
| Reported Formula |
C16H18N2O2 |
| SMILES |
O[C@]1([C@]2(N(C(N1[C@@](Cc1ccccc1)(C#C)[H])=O)CCC2)[H])[H] |
| SPLASH |
splash10-03di-3910000000-9ed8863132c4a97319a4 |
| Source of Spectrum |
ASC-362-4403-16 |
| Thin-Layer Chromatography |
Rf = 0.24 (silica gel, EtOAc/hexanes, 50:50) |
| Wiley ID |
1855560 |
![(1S,7aS)-1-Hydroxy-2-((S)-1-phenylbut-3-yn-2-yl)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one](/api/spectrum/2CraaOVRanY/structure.png?h=300&w=458 "(1S,7aS)-1-Hydroxy-2-((S)-1-phenylbut-3-yn-2-yl)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one")
