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Propyl 2-[3-(1-adamantylcarbonyl)thioureido]-4,5,6,7-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Propyl 2-[3-(1-adamantylcarbonyl)thioureido]-4,5,6,7-
SpectraBase Compound ID 4NfdFbZuVHg
InChI InChI=1S/C24H32N2O3S2/c1-2-7-29-23(28)20-17-5-3-4-6-18(17)31-22(20)26-24(30)25-21(27)19-15-9-13-8-14(11-15)12-16(19)10-13/h13-16,19H,2-12H2,1H3,(H2,25,26,27,30)/t13-,14+,15-,16+,19-
InChIKey AJZNCHDYSIXFSW-HJZJKDKPSA-N
Mol Weight 460.7 g/mol
Molecular Formula C24H32N2O3S2
Exact Mass 460.185435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84hqOMGZ2UZ
Name Propyl 2-[3-(1-adamantylcarbonyl)thioureido]-4,5,6,7-
Comments Computed using HOSE algorithm
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Exact Mass 460.185435243 u
Formula C24H32N2O3S2
InChI InChI=1S/C24H32N2O3S2/c1-2-7-29-23(28)20-17-5-3-4-6-18(17)31-22(20)26-24(30)25-21(27)19-15-9-13-8-14(11-15)12-16(19)10-13/h13-16,19H,2-12H2,1H3,(H2,25,26,27,30)/t13-,14+,15-,16+,19-
InChIKey AJZNCHDYSIXFSW-HJZJKDKPSA-N
Molecular Weight 460.651 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OCCC)C(=S)NC(=O)C1[C@]2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])[H]