| SpectraBase Spectrum ID |
2acrYCfeay0 |
| Name |
Ethyl (1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.080535950 u |
| Formula |
C12H12F2O2 |
| GC Column |
RTX-XLB (30 m ?? 0.25 mm, film thickness 0.28 micrometer) |
| GC Oven Program |
Oven temp 290oC |
| InChI |
InChI=1S/C12H12F2O2/c1-2-16-12(15)9-6-8(9)7-3-4-10(13)11(14)5-7/h3-5,8-9H,2,6H2,1H3/t8-,9+/m0/s1 |
| InChIKey |
WKJJNMWERMSARF-DTWKUNHWSA-N |
| Instrument Name |
Shimadzu GCMS-QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201608680 |
| Molecular Weight |
226.223 g/mol |
| Quality |
4 |
| SMILES |
C1(=CC=C(C=C1F)[C@@]1(C[C@]1(C(=O)OCC)[H])[H])F |
| SPLASH |
splash10-0udi-0900000000-47e5cb48d7b683b18747 |
| Sample Comments |
98% de, 58% ee |
| Source of Spectrum |
ACI-55-SM46-26 (DOI: 10.1002/anie.201608680) |
| Wiley ID |
1899403 |
