| SpectraBase Spectrum ID |
2CMnoWikowp |
| Name |
Benzyl (5R)-5-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-4,5-dihydrofuran-3-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.112836852 u |
| Formula |
C21H21ClO4 |
| InChI |
InChI=1S/C21H21ClO4/c1-14-17(20(23)25-13-15-7-5-4-6-8-15)12-21(2,26-14)16-9-10-19(24-3)18(22)11-16/h4-11H,12-13H2,1-3H3/t21-/m1/s1 |
| InChIKey |
WEOJPOJVJVAOBF-OAQYLSRUSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201804614 |
| Molecular Weight |
372.848 g/mol |
| Optical Rotation |
[a]D20 = +316.7 (c = 0.3, CH2Cl2) |
| Quality |
66 |
| Reported Formula |
C21H21O4Cl |
| SMILES |
[C@@]1(OC(=C(C1)C(=O)OCC1=CC=CC=C1)C)(C1=CC=C(C(=C1)Cl)OC)C |
| SPLASH |
splash10-0006-9010000000-af2d1fd2c537c30f5fa6 |
| Sample Comments |
er = 78:22 |
| Source of Spectrum |
ACI-57-SM41-2u (DOI: 10.1002/anie.201804614) |
| Wiley ID |
1893053 |
