| SpectraBase Spectrum ID |
Ifml3iMFHKG |
| Name |
Benzyl (1R,2R)-1-acetyl-2-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.151809184 u |
| Formula |
C21H22O4 |
| InChI |
InChI=1S/C21H22O4/c1-14-11-17(9-10-19(14)24-3)18-12-21(18,15(2)22)20(23)25-13-16-7-5-4-6-8-16/h4-11,18H,12-13H2,1-3H3/t18-,21+/m1/s1 |
| InChIKey |
QRNOMAGXESVNTC-NQIIRXRSSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201804614 |
| Molecular Weight |
338.403 g/mol |
| Quality |
71 |
| Reported Formula |
C21H22O4 |
| SMILES |
C1(=CC(=CC=C1OC)[C@@]1([C@@](C1)(C(=O)OCC1=CC=CC=C1)C(C)=O)[H])C |
| SPLASH |
splash10-0006-9000000000-f91e172a1589cf7b1d1c |
| Sample Comments |
dr > 20:1 |
| Source of Spectrum |
ACI-57-SM18-1o (DOI: 10.1002/anie.201804614) |
| Thin-Layer Chromatography |
0.70 (petroleum ether/EtOAc, 8:2) |
| Wiley ID |
1893032 |
