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

Formula: C12H13NO3


Canonical SMILES:
COCCOc1ccc2c(c1)[nH]cc2C=O
InChI:
InChI=1S/C12H13NO3/c1-15-4-5-16-10-2-3-11-9(8-14)7-13-12(11)6-10/h2-3,6-8,13H,4-5H2,1H3
InChIKey:
LNEZZIODZYSDBG-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

mass spectrometry (MS) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 120 °C), m/z (%): 219 (100) [M]+, 161 (81) [M - methoxy ethyl]+, 132 (15), 59 (50) [methoxy ethyl]+. HRMS–EI (C12H13O3N) (m/z): [M]+ calcd 219.0892; found 219.0890.
Datasets