| SpectraBase Spectrum ID |
7soqqCOeSVQ |
| Name |
methyl (Z)-2-((2S,7aR)-2,7a-dimethyl-2-phenyltetrahydropyrrolo[2,1-b]oxazol-3(2H)-ylidene)ethanoate |
| Appearance |
Yellowish wax |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO3 |
| InChI |
InChI=1S/C17H21NO3/c1-16-10-7-11-18(16)14(12-15(19)20-3)17(2,21-16)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3/b14-12-/t16-,17+/m1/s1 |
| InChIKey |
UDKXIUADJASWTO-HPDHUEIVSA-N |
| Instrument Name |
Shimadzu GC-MS-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202000582 |
| Molecular Weight |
287.359 g/mol |
| Reported Formula |
C17H21NO3 |
| SMILES |
[C@@]1(\C(N2[C@](O1)(CCC2)C)=C\C(OC)=O)(c1ccccc1)C |
| SPLASH |
splash10-002f-8690000000-31dd3df37e9b025378b1 |
| Sample Comments |
mixture of two isomers, dr = 1.5:1, dr = 1.5:1 |
| Source of Spectrum |
U1-2020-SM42-9i |
| Wiley ID |
1860824 |
![methyl (Z)-2-((2S,7aR)-2,7a-dimethyl-2-phenyltetrahydropyrrolo[2,1-b]oxazol-3(2H)-ylidene)ethanoate](/api/spectrum/7soqqCOeSVQ/structure.png?h=300&w=458 "methyl (Z)-2-((2S,7aR)-2,7a-dimethyl-2-phenyltetrahydropyrrolo[2,1-b]oxazol-3(2H)-ylidene)ethanoate")
