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N-Pentyl-4-methoxy-3-pentylthioamphetamine

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

N-Pentyl-4-methoxy-3-pentylthioamphetamine
SpectraBase Compound ID um1IPPwPt5
InChI InChI=1S/C20H35NOS/c1-5-7-9-13-21-17(3)15-18-11-12-19(22-4)20(16-18)23-14-10-8-6-2/h11-12,16-17,21H,5-10,13-15H2,1-4H3
InChIKey SCYTVAXWCGZTOS-UHFFFAOYSA-N
Mol Weight 337.6 g/mol
Molecular Formula C20H35NOS
Exact Mass 337.243936 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DK7zENc03Qp
Name N-Pentyl-4-methoxy-3-pentylthioamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.243935924 u
Formula C20H35NOS
InChI InChI=1S/C20H35NOS/c1-5-7-9-13-21-17(3)15-18-11-12-19(22-4)20(16-18)23-14-10-8-6-2/h11-12,16-17,21H,5-10,13-15H2,1-4H3
InChIKey SCYTVAXWCGZTOS-UHFFFAOYSA-N
Molecular Weight 337.566 g/mol
SMILES C1(=C(C=CC(=C1)CC(NCCCCC)C)OC)SCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973095