| SpectraBase Spectrum ID |
DUSd36UEefG |
| Name |
Ethyl (1R,2R)-2-phenylcyclopropane-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.099379689 u |
| Formula |
C12H14O2 |
| GC Column |
RTX-XLB (30 m ?? 0.25 mm, film thickness 0.28 micrometer) |
| GC Oven Program |
Oven temp 290oC |
| InChI |
InChI=1S/C12H14O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-,11+/m0/s1 |
| InChIKey |
SRGUIJLJERBBCM-WDEREUQCSA-N |
| Instrument Name |
Shimadzu GCMS-QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201608680 |
| Molecular Weight |
190.242 g/mol |
| Optical Rotation |
[a]D26 = -299 (c = 0.71, CHCl3) |
| Quality |
10 |
| SMILES |
C1([C@@]2(C[C@]2(C(=O)OCC)[H])[H])=CC=CC=C1 |
| SPLASH |
splash10-014i-0900000000-752adb53c0515ffe6a45 |
| Sample Comments |
>99.9% de, 95% ee |
| Source of Spectrum |
ACI-55-SM41-3a (DOI: 10.1002/anie.201608680) |
| Wiley ID |
1899404 |
