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2,5-Dimethoxy-4-(iso-propylthio)phenethylamine ac

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

2,5-Dimethoxy-4-(iso-propylthio)phenethylamine ac
SpectraBase Compound ID G8YWbjspJgO
InChI InChI=1S/C15H23NO3S/c1-10(2)20-15-9-13(18-4)12(8-14(15)19-5)6-7-16-11(3)17/h8-10H,6-7H2,1-5H3,(H,16,17)
InChIKey NINJXJPYGGTKGY-UHFFFAOYSA-N
Mol Weight 297.41 g/mol
Molecular Formula C15H23NO3S
Exact Mass 297.139865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CEUGYnkkGSd
Name 2,5-Dimethoxy-4-(iso-propylthio)phenethylamine ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.139864776 u
Formula C15H23NO3S
InChI InChI=1S/C15H23NO3S/c1-10(2)20-15-9-13(18-4)12(8-14(15)19-5)6-7-16-11(3)17/h8-10H,6-7H2,1-5H3,(H,16,17)
InChIKey NINJXJPYGGTKGY-UHFFFAOYSA-N
SMILES C=1(C(=CC(=C(C1)OC)SC(C)C)OC)CCNC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959837