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1-[1-(p-Methylbenzyl)-1-(p-methylphenylthio)pentyl]benzotriazole

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

1-[1-(p-Methylbenzyl)-1-(p-methylphenylthio)pentyl]benzotriazole
SpectraBase Compound ID D32VVs6Afgl
InChI InChI=1S/C26H29N3S/c1-4-5-18-26(19-22-14-10-20(2)11-15-22,30-23-16-12-21(3)13-17-23)29-25-9-7-6-8-24(25)27-28-29/h6-17H,4-5,18-19H2,1-3H3
InChIKey MKILZKZXLCVRHW-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C26H29N3S
Exact Mass 415.208219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LG83uFPft0D
Name 1-[1-(p-Methylbenzyl)-1-(p-methylphenylthio)pentyl]benzotriazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.208219120 u
Formula C26H29N3S
InChI InChI=1S/C26H29N3S/c1-4-5-18-26(19-22-14-10-20(2)11-15-22,30-23-16-12-21(3)13-17-23)29-25-9-7-6-8-24(25)27-28-29/h6-17H,4-5,18-19H2,1-3H3
InChIKey MKILZKZXLCVRHW-UHFFFAOYSA-N
Molecular Weight 415.599 g/mol
SMILES C=12N=NN(C2=CC=CC1)C(CCCC)(SC=1C=CC(=CC1)C)CC=1C=CC(=CC1)C