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

Formula: C12H17ClO2


Canonical SMILES:
COCOc1cc(C(C)C)c(cc1C)Cl
InChI:
InChI=1S/C12H17ClO2/c1-8(2)10-6-12(15-7-14-4)9(3)5-11(10)13/h5-6,8H,7H2,1-4H3
InChIKey:
LRPMRIMIWRGLKI-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-11-03This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Author: Simone Gräßle1,2

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

2. Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 20 °C), m/z (%): 228/230 (100/33) [M]+, 198/200 (46/13), 183/185 (37/13), 115 (16), 105 (19), 91 (15), 77 (20). HRMS–EI (C12H17O2Cl) (m/z): [M]+ Calcd 228.0912; Found 228.0913.
Datasets