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3-mt-4-ma N,N-bis(3-Methylbenzyl)

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

3-mt-4-ma N,N-bis(3-Methylbenzyl)
SpectraBase Compound ID CDfYD1vS5OG
InChI InChI=1S/C27H33NOS/c1-20-8-6-10-24(14-20)18-28(19-25-11-7-9-21(2)15-25)22(3)16-23-12-13-26(29-4)27(17-23)30-5/h6-15,17,22H,16,18-19H2,1-5H3
InChIKey JSUFLBVZCWKXBI-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C27H33NOS
Exact Mass 419.228286 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9vJLsEhh1LZ
Name 3-mt-4-ma N,N-bis(3-Methylbenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.228285860 u
Formula C27H33NOS
InChI InChI=1S/C27H33NOS/c1-20-8-6-10-24(14-20)18-28(19-25-11-7-9-21(2)15-25)22(3)16-23-12-13-26(29-4)27(17-23)30-5/h6-15,17,22H,16,18-19H2,1-5H3
InChIKey JSUFLBVZCWKXBI-UHFFFAOYSA-N
Molecular Weight 419.627 g/mol
SMILES C(N(CC1=CC(=CC=C1)C)CC=1C=C(C=CC1)C)(CC1=CC(=C(C=C1)OC)SC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898975