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

*Links on SpectraBase are not permalinks.
2C-P-M (di-HO- N-acetyl-) 2TFA
SpectraBase Compound ID H0myTuNAoNu
InChI InChI=1S/C19H21F6NO7/c1-9(32-16(28)18(20,21)22)5-11-6-14(31-4)12(7-13(11)30-3)15(8-26-10(2)27)33-17(29)19(23,24)25/h6-7,9,15H,5,8H2,1-4H3,(H,26,27)
InChIKey VRADIVRRXIBQDZ-UHFFFAOYSA-N
Mol Weight 489.37 g/mol
Molecular Formula C19H21F6NO7
Exact Mass 489.122221 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 B3QJOVjR8YC
Name 2C-P-M (di-HO- N-acetyl-) 2TFA
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 489.122220991 u
Formula C19H21NO7F6
InChI InChI=1S/C19H21F6NO7/c1-9(32-16(28)18(20,21)22)5-11-6-14(31-4)12(7-13(11)30-3)15(8-26-10(2)27)33-17(29)19(23,24)25/h6-7,9,15H,5,8H2,1-4H3,(H,26,27)
InChIKey VRADIVRRXIBQDZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 489.367 g/mol
SMILES c1(cc(C(OC(C(F)(F)F)=O)CNC(=O)C)c(OC)cc1CC(OC(=O)C(F)(F)F)C)OC
SPLASH splash10-054o-3940100000-123f17c44da265fd36f6
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 (di-HO- N-acetyl-) TFA
Technique GC/MS
Wiley ID MMPW6e_8806