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2,5-Dimethoxy-4-propylthioamphetamine ac

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

2,5-Dimethoxy-4-propylthioamphetamine ac
SpectraBase Compound ID 6S77ii2cyBP
InChI InChI=1S/C16H25NO3S/c1-6-7-21-16-10-14(19-4)13(9-15(16)20-5)8-11(2)17-12(3)18/h9-11H,6-8H2,1-5H3,(H,17,18)
InChIKey ZNQZONAUCRDNFD-UHFFFAOYSA-N
Mol Weight 311.44 g/mol
Molecular Formula C16H25NO3S
Exact Mass 311.155515 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CGsWK08s3f2
Name 2,5-Dimethoxy-4-propylthioamphetamine ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.155514840 u
Formula C16H25NO3S
InChI InChI=1S/C16H25NO3S/c1-6-7-21-16-10-14(19-4)13(9-15(16)20-5)8-11(2)17-12(3)18/h9-11H,6-8H2,1-5H3,(H,17,18)
InChIKey ZNQZONAUCRDNFD-UHFFFAOYSA-N
Molecular Weight 311.440 g/mol
SMILES C=1(C(=CC(=C(C1)OC)SCCC)OC)CC(NC(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954641