John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7FuR18dAVXQ SpectraBase Spectrum ID=10GRxzuiaUZ

(accessed ).
1-{alpha-[p-(1,3-dithiolan-2-yl)phenoxy]-m-toluoyl}-4-isopropylsemicarbazide
SpectraBase Compound ID 7FuR18dAVXQ
InChI InChI=1S/C21H25N3O3S2/c1-14(2)22-21(26)24-23-19(25)17-5-3-4-15(12-17)13-27-18-8-6-16(7-9-18)20-28-10-11-29-20/h3-9,12,14,20H,10-11,13H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKey RDWIWRIUEFQNHC-UHFFFAOYSA-N
Mol Weight 431.57 g/mol
Molecular Formula C21H25N3O3S2
Exact Mass 431.133735 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10GRxzuiaUZ
Name 1-{alpha-[p-(1,3-dithiolan-2-yl)phenoxy]-m-toluoyl}-4-isopropylsemicarbazide
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Formula C21H25N3O3S2
InChI InChI=1S/C21H25N3O3S2/c1-14(2)22-21(26)24-23-19(25)17-5-3-4-15(12-17)13-27-18-8-6-16(7-9-18)20-28-10-11-29-20/h3-9,12,14,20H,10-11,13H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKey RDWIWRIUEFQNHC-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56239M
Solvent DMSO-d6
SpectraBase Batch ID BMWupVH5Gpe