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

*Links on SpectraBase are not permalinks.
Phenylephrine 2TFA
SpectraBase Compound ID L4l7w7BF2p8
InChI InChI=1S/C13H11F6NO4/c1-6(20-10(22)12(14,15)16)9(21)7-3-2-4-8(5-7)24-11(23)13(17,18)19/h2-6,9,21H,1H3,(H,20,22)
InChIKey KCYTVUAKCSSSHY-UHFFFAOYSA-N
Mol Weight 359.22 g/mol
Molecular Formula C13H11F6NO4
Exact Mass 359.059227 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 BYihWAwq5vk
Name Phenylephrine 2TFA
Classification Sympathomimetic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 359.059226812 u
Formula C13H11F6NO4
InChI InChI=1S/C13H11F6NO4/c1-6(20-10(22)12(14,15)16)9(21)7-3-2-4-8(5-7)24-11(23)13(17,18)19/h2-6,9,21H,1H3,(H,20,22)
InChIKey KCYTVUAKCSSSHY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 359.224 g/mol
SMILES c1cc(OC(C(F)(F)F)=O)cc(C(O)C(NC(C(F)(F)F)=O)C)c1
SPLASH splash10-0006-5920000000-ef2e6c127fd74ab12ade
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.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_6157