SpectraBase Spectrum ID |
DRyFrR8K8Vq |
Name |
Ethyl cis-1-(2-hydroxypropan-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate |
Appearance |
Colorless oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
278.151809184 u |
Formula |
C16H22O4 |
InChI |
InChI=1S/C16H22O4/c1-5-20-14(17)16(15(2,3)18)10-13(16)11-6-8-12(19-4)9-7-11/h6-9,13,18H,5,10H2,1-4H3/t13-,16+/m0/s1 |
InChIKey |
JPCBFYPXIBMFPZ-XJKSGUPXSA-N |
Instrument Name |
Finnigan MAT 8200 |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/jacs.2c02258 |
Molecular Weight |
278.348 g/mol |
Optical Rotation |
[a]D21 = -35.9 (c = 1.0, CHCl3) |
Quality |
156 |
SMILES |
OC([C@]1([C@@](C1)(C=1C=CC(=CC1)OC)[H])C(=O)OCC)(C)C |
SPLASH |
splash10-000i-0900000000-27949b593b7756f48c76 |
Source of Spectrum |
C-144-SM54-9e (DOI: 10.1021/jacs.2c02258) |
Wiley ID |
1910642 |