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2,4-Dimethoxyamphetamine, pentafluoropropionate

View entire compound with spectra: 1 FTIR

2,4-Dimethoxyamphetamine, pentafluoropropionate
SpectraBase Compound ID 5cnUlM9tDXM
InChI InChI=1S/C14H16F5NO3/c1-8(20-12(21)13(15,16)14(17,18)19)6-9-4-5-10(22-2)7-11(9)23-3/h4-5,7-8H,6H2,1-3H3,(H,20,21)
InChIKey XALBLBCUBYYUDV-UHFFFAOYSA-N
Mol Weight 341.28 g/mol
Molecular Formula C14H16F5NO3
Exact Mass 341.105034 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DfNBJNFi3z9
Name 2,4-Dimethoxyamphetamine, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.105034191 u
Formula C14H16F5NO3
InChI InChI=1S/C14H16F5NO3/c1-8(20-12(21)13(15,16)14(17,18)19)6-9-4-5-10(22-2)7-11(9)23-3/h4-5,7-8H,6H2,1-3H3,(H,20,21)
InChIKey XALBLBCUBYYUDV-UHFFFAOYSA-N
Molecular Weight 341.278 g/mol
SMILES C1(=C(C=C(C=C1)OC)OC)CC(C)NC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.805053