| SpectraBase Spectrum ID |
3NE2BpVoK8 |
| Name |
(3R,7R,7aS)-7-(4-Methoxyphenyl)-7a-methyl-5-oxo-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.152143537 u |
| Formula |
C20H21NO3 |
| InChI |
InChI=1S/C20H21NO3/c1-20-17(14-8-10-16(23-2)11-9-14)12-19(22)21(20)18(13-24-20)15-6-4-3-5-7-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+,20+/m1/s1 |
| InChIKey |
PEXNAISLQNBHQG-HBFSDRIKSA-N |
| Instrument Name |
Hewlett-Packard 5988A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0004.a09 |
| Molecular Weight |
323.392 g/mol |
| Optical Rotation |
[a]D22 = -20 (c = 0.1, CH2Cl2) |
| Quality |
62 |
| SMILES |
C1C(N2[C@]([C@]1(C1=CC=C(C=C1)OC)[H])(OC[C@]2(C1=CC=CC=C1)[H])C)=O |
| SPLASH |
splash10-0ab9-0971000000-38074ceb5250ae3270fc |
| Source of Spectrum |
ARK-2003-78-9a (DOI: 10.3998/ark.5550190.0004.a09) |
| Wiley ID |
1899687 |
![(3R,7R,7aS)-7-(4-Methoxyphenyl)-7a-methyl-5-oxo-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole](/api/spectrum/3NE2BpVoK8/structure.png?h=300&w=458 "(3R,7R,7aS)-7-(4-Methoxyphenyl)-7a-methyl-5-oxo-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole")
