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

*Links on SpectraBase are not permalinks.

2-(3,4-Methylenedioxyphenyl)propan-1-amine tfa

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-(3,4-Methylenedioxyphenyl)propan-1-amine tfa
SpectraBase Compound ID 90fGcfgVMrd
InChI InChI=1S/C12H12F3NO3/c1-7(5-16-11(17)12(13,14)15)8-2-3-9-10(4-8)19-6-18-9/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKey MXPOCBUJXULXQD-UHFFFAOYSA-N
Mol Weight 275.23 g/mol
Molecular Formula C12H12F3NO3
Exact Mass 275.076928 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LDABapLBgmE
Name 2-(3,4-Methylenedioxyphenyl)propan-1-amine tfa
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.076927736 u
Formula C12H12F3NO3
InChI InChI=1S/C12H12F3NO3/c1-7(5-16-11(17)12(13,14)15)8-2-3-9-10(4-8)19-6-18-9/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKey MXPOCBUJXULXQD-UHFFFAOYSA-N
Molecular Weight 275.227 g/mol
SMILES C(C(NCC(C=1C=C2C(=CC1)OCO2)C)=O)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874992