| SpectraBase Spectrum ID |
51VuDm6PXMi |
| Name |
(3aRS,6aRS)-Ethyl 3-benzyl-6a-vinylhexahydro-2H-cyclopenta[d]oxazole-2-carboxylate |
| Appearance |
Slightly yellow liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.167793602 u |
| Formula |
C18H23NO3 |
| InChI |
InChI=1S/C18H23NO3/c1-3-18-12-8-11-15(18)19(13-14-9-6-5-7-10-14)16(22-18)17(20)21-4-2/h3,5-7,9-10,15-16H,1,4,8,11-13H2,2H3/t15-,16?,18+/m1/s1 |
| InChIKey |
QNDVOWDCFRVADD-AGPBCMBSSA-N |
| Instrument Name |
Finnigan MAT MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201405811 |
| Quality |
133 |
| SMILES |
C1(N([C@]2([C@@](O1)(CCC2)C=C)[H])CC1=CC=CC=C1)C(=O)OCC |
| SPLASH |
splash10-002f-9000000000-1c3a9a87aaaa1fa89d31 |
| Sample Comments |
Diastereomeric mixture (8:1) |
| Source of Spectrum |
QE-21-SM7-18 (DOI: 10.1002/chem.201405811) |
| Thin-Layer Chromatography |
0.72 (Hexanes/EtOAc, 3:1) |
| Wiley ID |
1906325 |
![(3aRS,6aRS)-Ethyl 3-benzyl-6a-vinylhexahydro-2H-cyclopenta[d]oxazole-2-carboxylate](/api/spectrum/51VuDm6PXMi/structure.png?h=300&w=458 "(3aRS,6aRS)-Ethyl 3-benzyl-6a-vinylhexahydro-2H-cyclopenta[d]oxazole-2-carboxylate")
