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(1alpha,3beta,5alpha, 5alphabeta,6alpha,9alpha,9alphabeta)-5a,6,9,9a-tetrahhydro-N-(triphenylphosphoranylidene)-6,9-methano-1,5-nitrilo-1H,3H-1,3,5,2,-benzotrithiadiazepin-3-amine

View entire compound with spectra: 1 NMR

(1alpha,3beta,5alpha, 5alphabeta,6alpha,9alpha,9alphabeta)-5a,6,9,9a-tetrahhydro-N-(triphenylphosphoranylidene)-6,9-methano-1,5-nitrilo-1H,3H-1,3,5,2,-benzotrithiadiazepin-3-amine
SpectraBase Compound ID CX3bn5676Vb
InChI InChI=1S/C26H23N4PS3/c1-4-10-19(11-5-1)31(20-12-6-2-7-13-20,21-14-8-3-9-15-21)27-34-29-32-24-22-16-17-26(22)18-23(26)25(24)33(28-32)30-34/h1-17,22-25H,18H2/t22?,23?,24-,25-,26?,32?,33?,34?/m0/s1
InChIKey BGYFALMNOBOZCP-YXSPISSLSA-N
Mol Weight 518.65 g/mol
Molecular Formula C26H23N4PS3
Exact Mass 518.082247 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWEO3tjioyD
Name (1alpha,3beta,5alpha, 5alphabeta,6alpha,9alpha,9alphabeta)-5a,6,9,9a-tetrahhydro-N-(triphenylphosphoranylidene)-6,9-methano-1,5-nitrilo-1H,3H-1,3,5,2,-benzotrithiadiazepin-3-amine
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Formula C26H23N4PS3
InChI InChI=1S/C26H23N4PS3/c1-4-10-19(11-5-1)31(20-12-6-2-7-13-20,21-14-8-3-9-15-21)27-34-29-32-24-22-16-17-26(22)18-23(26)25(24)33(28-32)30-34/h1-17,22-25H,18H2/t22?,23?,24-,25-,26?,32?,33?,34?/m0/s1
InChIKey BGYFALMNOBOZCP-YXSPISSLSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 44349M
Solvent CDCl3