John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Iks6LyqDm68 SpectraBase Spectrum ID=8kgB7AqqkVW

(accessed ).
7,18-bis(p-tolylsulfonyl)-2,2-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17,18,19-tetradecahydro-20,5-(nitrilometheno)-4H-1,3-dioxino[4,5-d][1,8]diazacyclooctadecine
SpectraBase Compound ID Iks6LyqDm68
InChI InChI=1S/C35H47N3O6S2/c1-27-13-17-30(18-14-27)45(39,40)37-21-11-9-7-5-6-8-10-12-22-38(46(41,42)31-19-15-28(2)16-20-31)25-33-34-32(29(24-37)23-36-33)26-43-35(3,4)44-34/h13-20,23H,5-12,21-22,24-26H2,1-4H3
InChIKey YXLHTUJJBPXDOO-UHFFFAOYSA-N
Mol Weight 669.9 g/mol
Molecular Formula C35H47N3O6S2
Exact Mass 669.29063 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kgB7AqqkVW
Name 7,18-bis(p-tolylsulfonyl)-2,2-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17,18,19-tetradecahydro-20,5-(nitrilometheno)-4H-1,3-dioxino[4,5-d][1,8]diazacyclooctadecine
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Formula C35H47N3O6S2
InChI InChI=1S/C35H47N3O6S2/c1-27-13-17-30(18-14-27)45(39,40)37-21-11-9-7-5-6-8-10-12-22-38(46(41,42)31-19-15-28(2)16-20-31)25-33-34-32(29(24-37)23-36-33)26-43-35(3,4)44-34/h13-20,23H,5-12,21-22,24-26H2,1-4H3
InChIKey YXLHTUJJBPXDOO-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 41527M
Solvent CDCl3
SpectraBase Batch ID J5GUwkldDWU