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

Formula: C12H12O5


Canonical SMILES:
COc1cc(/C=C/C(=O)O)ccc1OC(=O)C
InChI:
InChI=1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+
InChIKey:
IHKNVZISLLDMOR-GQCTYLIASA-N
Exact Mass:
Crosslinks:   


Published on 2024-10-15This work is licensed under a Creative Commons Attribution 4.0 International License.

 

mass spectrometry (MS) 
Authors: Po-Chung Chien1 - Georg Manolikakes2

1. Chemistry, RPTU Kaiserslautern, Germany

2. Department of Chemistry, RPTU Kaiserslautern-Landau, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (APCI, m/z): 474 (15), 473 (14) [2M+H]+, 239 (8), 238 (65), 237 (100) [M+H]+. HRMS (ESI-, m/z): [M-H]- calc. for C12H11O5 235.0612; found 235.0613.
Datasets