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

View entire compound with spectra: 1 NMR, and 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMFZtSMJbd
Name 2-(Benzylamino)-5-pentadecyl-1,3,4-thiadiazole
Comments Computed using HOSE algorithm
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Exact Mass 401.286469442 u
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 C=1(SC(=NN1)CCCCCCCCCCCCCCC)NCC=1C=CC=CC1