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Hydroxythiohomosildenafil tms
SpectraBase Compound ID 7lIwrKgyWi4
InChI InChI=1S/C26H40N6O4S2Si/c1-7-9-21-23-24(30(3)29-21)26(37)28-25(27-23)20-18-19(10-11-22(20)35-8-2)38(33,34)32-14-12-31(13-15-32)16-17-36-39(4,5)6/h10-11,18H,7-9,12-17H2,1-6H3,(H,27,28,37)
InChIKey VCQLLRKCJZQKMQ-UHFFFAOYSA-N
Mol Weight 592.8 g/mol
Molecular Formula C26H40N6O4S2Si
Exact Mass 592.232173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Wq4GQXWTjI
Name Hydroxythiohomosildenafil tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 592.232172671 u
Formula C26H40N6O4S2Si
InChI InChI=1S/C26H40N6O4S2Si/c1-7-9-21-23-24(30(3)29-21)26(37)28-25(27-23)20-18-19(10-11-22(20)35-8-2)38(33,34)32-14-12-31(13-15-32)16-17-36-39(4,5)6/h10-11,18H,7-9,12-17H2,1-6H3,(H,27,28,37)
InChIKey VCQLLRKCJZQKMQ-UHFFFAOYSA-N
Molecular Weight 592.849 g/mol
SMILES C12=C(N=C(C=3C(=CC=C(S(N4CCN(CC4)CCO[Si](C)(C)C)(=O)=O)C3)OCC)NC1=S)C(=NN2C)CCC