This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C20H20O3


Canonical SMILES:
Oc1ccc(cc1)Cc1cc2c(ccc(c2oc1=O)C)C(C)C
InChI:
InChI=1S/C20H20O3/c1-12(2)17-9-4-13(3)19-18(17)11-15(20(22)23-19)10-14-5-7-16(21)8-6-14/h4-9,11-12,21H,10H2,1-3H3
InChIKey:
VFJCNECVCLZJMX-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-12-17This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Sylvia Vanderheiden-Schroen1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 161.8 (C=O), 154.5 (COH), 152.0 (Cq), 143.5 (Cq), 136.1 (CHar), 132.1 (CHar), 130.4 (CHar, 2C), 130.1 (Cq), 128.3 (Cq), 123.3 (Cq), 120.1 (CH), 116.7 (Cq), 115.6 (CHar, 2C), 36.1 (CH2), 28.4 (CH(CH3)2), 23.5 (CH(CH3)2, 2C), 15.4 (CH3).
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