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

Formula: C13H13NO3


Canonical SMILES:
OC(=O)c1cc2c([nH]1)cc(cc2)OCC1CC1
InChI:
InChI=1S/C13H13NO3/c15-13(16)12-5-9-3-4-10(6-11(9)14-12)17-7-8-1-2-8/h3-6,8,14H,1-2,7H2,(H,15,16)
InChIKey:
YFSWNWZGCZWOMI-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, 150 °C), m/z (%): 231 (100) [M]+, 177 (80) [M - cyclopropyl methyl]+, 159 (72), 130 (22), 102 (12), 55 (53) [cyclopropyl methyl]+. HRMS–EI (C13H13O3N) (m/z): [M]+ calcd 231.0890; found 231.0889.
Datasets