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2C-5-Toet N,N-bis(4-chlorobenzyl)

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

2C-5-Toet N,N-bis(4-chlorobenzyl)
SpectraBase Compound ID 2a2WtwN7fbN
InChI InChI=1S/C26H29Cl2NOS/c1-4-21-15-25(30-2)22(16-26(21)31-3)13-14-29(17-19-5-9-23(27)10-6-19)18-20-7-11-24(28)12-8-20/h5-12,15-16H,4,13-14,17-18H2,1-3H3
InChIKey RJKYWUIVCGWSRC-UHFFFAOYSA-N
Mol Weight 474.49 g/mol
Molecular Formula C26H29Cl2NOS
Exact Mass 473.134691 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LZRPG4VjBFW
Name 2C-5-Toet N,N-bis(4-chlorobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.134691131 u
Formula C26H29Cl2NOS
InChI InChI=1S/C26H29Cl2NOS/c1-4-21-15-25(30-2)22(16-26(21)31-3)13-14-29(17-19-5-9-23(27)10-6-19)18-20-7-11-24(28)12-8-20/h5-12,15-16H,4,13-14,17-18H2,1-3H3
InChIKey RJKYWUIVCGWSRC-UHFFFAOYSA-N
Molecular Weight 474.490 g/mol
SMILES C=1(C(=CC(=C(C1)SC)CC)OC)CCN(CC=1C=CC(=CC1)Cl)CC=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929595