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4-(heptyloxy)benzaldehyde N-(4-ethoxybenzyl)thiosemicarbazone

View entire compound with spectra: 2 NMR

4-(heptyloxy)benzaldehyde N-(4-ethoxybenzyl)thiosemicarbazone
SpectraBase Compound ID Cdg0hgboYB0
InChI InChI=1S/C24H33N3O2S/c1-3-5-6-7-8-17-29-23-15-11-21(12-16-23)19-26-27-24(30)25-18-20-9-13-22(14-10-20)28-4-2/h9-16,19H,3-8,17-18H2,1-2H3,(H2,25,27,30)/b26-19+
InChIKey JTXYZNZWIYQPGD-LGUFXXKBSA-N
Mol Weight 427.6 g/mol
Molecular Formula C24H33N3O2S
Exact Mass 427.229348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQHpfjfsZTL
Name 4-(Heptyloxy)benzaldehyde N-(4-ethoxybenzyl)thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 427.229348487 u
Formula C24H33N3O2S
InChI InChI=1S/C24H33N3O2S/c1-3-5-6-7-8-17-29-23-15-11-21(12-16-23)19-26-27-24(30)25-18-20-9-13-22(14-10-20)28-4-2/h9-16,19H,3-8,17-18H2,1-2H3,(H2,25,27,30)/b26-19+
InChIKey JTXYZNZWIYQPGD-LGUFXXKBSA-N
Molecular Weight 427.607 g/mol
SMILES N(C(=S)N\N=C\C1=CC=C(C=C1)OCCCCCCC)CC1=CC=C(C=C1)OCC