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2C-T-25 N-(4-chlorobenzyl)

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

2C-T-25 N-(4-chlorobenzyl)
SpectraBase Compound ID X3Ukyj87ux
InChI InChI=1S/C21H28ClNO2S/c1-15(2)14-26-21-12-19(24-3)17(11-20(21)25-4)9-10-23-13-16-5-7-18(22)8-6-16/h5-8,11-12,15,23H,9-10,13-14H2,1-4H3
InChIKey XDWZHBVSNSAKNL-UHFFFAOYSA-N
Mol Weight 393.97 g/mol
Molecular Formula C21H28ClNO2S
Exact Mass 393.152928 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AWDGdDPfH10
Name 2C-T-25 N-(4-Chlorobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.152928018 u
Formula C21H28ClNO2S
InChI InChI=1S/C21H28ClNO2S/c1-15(2)14-26-21-12-19(24-3)17(11-20(21)25-4)9-10-23-13-16-5-7-18(22)8-6-16/h5-8,11-12,15,23H,9-10,13-14H2,1-4H3
InChIKey XDWZHBVSNSAKNL-UHFFFAOYSA-N
Molecular Weight 393.973 g/mol
SMILES C=1(C(=CC(=C(C1)OC)SCC(C)C)OC)CCNCC=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801636