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2-(Benzylamino)-5-pentadecyl-1,3,4-thiadiazole

View entire compound with spectra: 1 MS (GC)

2-(Benzylamino)-5-pentadecyl-1,3,4-thiadiazole
SpectraBase Compound ID FRthFizkk6l
InChI InChI=1S/C24H39N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-27-24(28-23)25-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,25,27)
InChIKey NBYYOVLLJSXYFI-UHFFFAOYSA-N
Mol Weight 401.7 g/mol
Molecular Formula C24H39N3S
Exact Mass 401.286469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32o4kCUCw1y
Name 2-(Benzylamino)-5-pentadecyl-1,3,4-thiadiazole
Alternate Name(s) N-benzyl-5-pentadecyl-1,3,4-thiadiazol-2-amine N-benzyl-N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H39N3S
InChI InChI=1S/C24H39N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-27-24(28-23)25-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,25,27)
InChIKey NBYYOVLLJSXYFI-UHFFFAOYSA-N
Molecular Weight 401.657 g/mol
SMILES N(c1sc(nn1)CCCCCCCCCCCCCCC)Cc1ccccc1
SPLASH splash10-052f-9080200000-9fb8cc6f72f3c92ac90a
Source of Spectrum Y1-33-586-15
Wiley ID 1526262