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3-THAP N,N-bis-(4-toluyl)
SpectraBase Compound ID JlGl0dioCgG
InChI InChI=1S/C23H23NO2S/c1-16-4-8-20(9-5-16)22(25)24(18(3)14-19-12-13-27-15-19)23(26)21-10-6-17(2)7-11-21/h4-13,15,18H,14H2,1-3H3
InChIKey VAXGJAFZBLGNQS-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C23H23NO2S
Exact Mass 377.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HusYvdsLdQ
Name 3-THAP N,N-bis-(4-toluyl)
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 377.144950157 u
Formula C23H23NO2S
InChI InChI=1S/C23H23NO2S/c1-16-4-8-20(9-5-16)22(25)24(18(3)14-19-12-13-27-15-19)23(26)21-10-6-17(2)7-11-21/h4-13,15,18H,14H2,1-3H3
InChIKey VAXGJAFZBLGNQS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 377.502 g/mol
Nominal Mass 377 u
Quality 1000
Retention Index 2729
SMILES C(N(C(C=1C=CC(=CC1)C)=O)C(CC=1C=CSC1)C)(C=1C=CC(=CC1)C)=O
SPLASH splash10-014i-3910000000-2b452a1751e4c5d86b94
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Methyl-N-(4-methylbenzoyl)-N-[1-(thiophen-3-yl)propan-2-yl]benzamide
Technique GC/MS
Wiley ID DD2024_025032