SpectraBase Spectrum ID |
5J4p8Yqm00 |
Name |
4-(1-Aminoethyl-)phenol 2HFB |
Classification |
Chemical |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
529.035887433 u |
Formula |
C16H9NO3F14 |
InChI |
InChI=1S/C16H9F14NO3/c1-6(31-9(32)11(17,18)13(21,22)15(25,26)27)7-2-4-8(5-3-7)34-10(33)12(19,20)14(23,24)16(28,29)30/h2-6H,1H3,(H,31,32) |
InChIKey |
FIHQQAUUNDFAAN-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
529.230 g/mol |
SMILES |
c1c(ccc(c1)OC(C(F)(F)C(F)(F)C(F)(F)F)=O)C(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F |
SPLASH |
splash10-014i-5718090000-97593f4fd86d27ee4cf3 |
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_7605 |