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

*Links on SpectraBase are not permalinks.
2C-PYN N,N-bis(2-fluorobenzyl)
SpectraBase Compound ID LVcs4XHAltG
InChI InChI=1S/C27H27F2NO2/c1-4-9-20-16-27(32-3)21(17-26(20)31-2)14-15-30(18-22-10-5-7-12-24(22)28)19-23-11-6-8-13-25(23)29/h5-8,10-13,16-17H,14-15,18-19H2,1-3H3
InChIKey CDLWGSAISREROW-UHFFFAOYSA-N
Mol Weight 435.51 g/mol
Molecular Formula C27H27F2NO2
Exact Mass 435.200985 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 GU8C8mkFmvA
Name 2C-PYN N,N-bis(2-fluorobenzyl)
Classification Phenethylamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 435.200985437 u
Formula C27H27F2NO2
InChI InChI=1S/C27H27F2NO2/c1-4-9-20-16-27(32-3)21(17-26(20)31-2)14-15-30(18-22-10-5-7-12-24(22)28)19-23-11-6-8-13-25(23)29/h5-8,10-13,16-17H,14-15,18-19H2,1-3H3
InChIKey CDLWGSAISREROW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 435.515 g/mol
Nominal Mass 435 u
Quality 980
Retention Index 3047
SMILES C=1(C(=CC(=C(C1)OC)C#CC)OC)CCN(CC=1C(=CC=CC1)F)CC=1C(=CC=CC1)F
SPLASH splash10-0002-0590000000-ea4ee46c00d9db4f07ac
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(2-fluorobenzyl)-2,5-dimethoxy-4-(prop-1-inyl)phenethylamine 2-(2,5-dimethoxy-4-(prop-1-yn-1-yl)phenyl)-N,N-bis(2-fluorobenzyl)ethan-1-amine
Technique GC/MS
Wiley ID DD2024_020751