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

Formula: C15H22BNO4


Canonical SMILES:
CCOC(=O)c1ccc(c(c1)N)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C15H22BNO4/c1-6-19-13(18)10-7-8-11(12(17)9-10)16-20-14(2,3)15(4,5)21-16/h7-9H,6,17H2,1-5H3
InChIKey:
FVDWZYDAKIIASA-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2024-10-09This work is licensed under a Creative Commons Attribution 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, 50 °C), m/z (%): 291 (36) [M]+, 239 (23), 234 (17), 191 (10), 172 (11), 169 (11), 131 (12), 129 (11), 119 (10), 84 (100), 69 (28), 59 (10). HRMS–EI (C15H22O4NB) (m/z): [M]+ Calcd 291.1636; Found 291.1638.
Datasets