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

*Links on SpectraBase are not permalinks.
2C-P-M isomer-2 TFA
SpectraBase Compound ID IB5raIpKeiX
InChI InChI=1S/C16H20F3NO4/c1-4-5-11-9-14(24-15(22)16(17,18)19)12(8-13(11)23-3)6-7-20-10(2)21/h8-9H,4-7H2,1-3H3,(H,20,21)
InChIKey IXVRRIXKKGEJGD-UHFFFAOYSA-N
Mol Weight 347.33 g/mol
Molecular Formula C16H20F3NO4
Exact Mass 347.134443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9MN1zRuTDtd
Name 2C-P-M isomer-2 TFA
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 347.134442613 u
Formula C16H20NO4F3
InChI InChI=1S/C16H20F3NO4/c1-4-5-11-9-14(24-15(22)16(17,18)19)12(8-13(11)23-3)6-7-20-10(2)21/h8-9H,4-7H2,1-3H3,(H,20,21)
InChIKey IXVRRIXKKGEJGD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 347.334 g/mol
SMILES c1(cc(CCNC(=O)C)c(OC(C(F)(F)F)=O)cc1CCC)OC
SPLASH splash10-000i-4690000000-456b63c5ae662d7a4f9c
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UGLUCSPETFA
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms 2C-P-M (O-demethyl- N-acetyl-) isomer- TFA
Technique GC/MS
Wiley ID MMPW6e_8803