| SpectraBase Spectrum ID |
92fX6WhR5IQ |
| Name |
Ethyl trans-1-(4-acetylbenzoyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.146723803 u |
| Formula |
C22H22O5 |
| InChI |
InChI=1S/C22H22O5/c1-4-27-21(25)22(13-19(22)16-9-11-18(26-3)12-10-16)20(24)17-7-5-15(6-8-17)14(2)23/h5-12,19H,4,13H2,1-3H3/t19-,22+/m1/s1 |
| InChIKey |
XACADODGKSQWQN-KNQAVFIVSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02258 |
| Molecular Weight |
366.413 g/mol |
| Optical Rotation |
[a]D20 = 194.2 (c = 1.0, CHCl3) |
| Quality |
108 |
| SMILES |
[C@]1([C@](C1)(C=1C=CC(=CC1)OC)[H])(C(=O)C1=CC=C(C=C1)C(=O)C)C(OCC)=O |
| SPLASH |
splash10-006t-0729000000-cc5c1a0ad0c5392f2d71 |
| Source of Spectrum |
C-144-SM51-trans-8b (DOI: 10.1021/jacs.2c02258) |
| Wiley ID |
1910676 |
