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

Formula: C17H17NO2S


Canonical SMILES:
COCCOc1ccc2c(c1)[nH]cc2Sc1ccccc1
InChI:
InChI=1S/C17H17NO2S/c1-19-9-10-20-13-7-8-15-16(11-13)18-12-17(15)21-14-5-3-2-4-6-14/h2-8,11-12,18H,9-10H2,1H3
InChIKey:
CATGSNBERVFLMC-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 (%): 299 (100) [M]+, 241 (52) [M - methoxy ethyl]+, 59 (14) [methoxy ethyl]+. HRMS–EI (C17H17O2NS) (m/z): [M]+ calcd 299.0974; found 299.0975.
Datasets