For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methedrone-M (O-demethyl-) 2HFB

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Methedrone-M (O-demethyl-) 2HFB
SpectraBase Compound ID EDmbss7S8Ir
InChI InChI=1S/C18H11F14NO4/c1-7(33(2)11(35)13(19,20)15(23,24)17(27,28)29)10(34)8-3-5-9(6-4-8)37-12(36)14(21,22)16(25,26)18(30,31)32/h3-7H,1-2H3
InChIKey DHGBFHJZSXESIQ-UHFFFAOYSA-N
Mol Weight 571.27 g/mol
Molecular Formula C18H11F14NO4
Exact Mass 571.046452 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5QEzGEsnsCs
Name Methedrone-m (o-demethyl-) 2hfb P1703
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 571.046452116 u
Formula C18H11F14NO4
InChI InChI=1S/C18H11F14NO4/c1-7(33(2)11(35)13(19,20)15(23,24)17(27,28)29)10(34)8-3-5-9(6-4-8)37-12(36)14(21,22)16(25,26)18(30,31)32/h3-7H,1-2H3
InChIKey DHGBFHJZSXESIQ-UHFFFAOYSA-N
Molecular Weight 571.267 g/mol
SMILES C1=C(C(C(N(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C)=O)C=CC(=C1)OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802558