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5H,17H-Dibenzo[B,K][1,13,4,7,10]dioxatriazacyclooctadecine, 6,7,8,9,10,11,18,19,20,21-decahydro-8-[(4-methylphenyl)sulfonyl]-

View entire compound with spectra: 1 NMR

5H,17H-Dibenzo[B,K][1,13,4,7,10]dioxatriazacyclooctadecine, 6,7,8,9,10,11,18,19,20,21-decahydro-8-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID 2zOHCKpr7OT
InChI InChI=1S/C28H35N3O4S/c1-23-13-15-24(16-14-23)36(32,33)31-19-17-29-25-9-3-5-11-27(25)34-21-7-2-8-22-35-28-12-6-4-10-26(28)30-18-20-31/h3-6,9-16,29-30H,2,7-8,17-22H2,1H3
InChIKey HFTFVRDCYAMWDO-UHFFFAOYSA-N
Mol Weight 509.7 g/mol
Molecular Formula C28H35N3O4S
Exact Mass 509.234828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hneJl7KOjy
Name 5H,17H-Dibenzo[B,K][1,13,4,7,10]dioxatriazacyclooctadecine, 6,7,8,9,10,11,18,19,20,21-decahydro-8-[(4-methylphenyl)sulfonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.234827789 u
Formula C28H35N3O4S
InChI InChI=1S/C28H35N3O4S/c1-23-13-15-24(16-14-23)36(32,33)31-19-17-29-25-9-3-5-11-27(25)34-21-7-2-8-22-35-28-12-6-4-10-26(28)30-18-20-31/h3-6,9-16,29-30H,2,7-8,17-22H2,1H3
InChIKey HFTFVRDCYAMWDO-UHFFFAOYSA-N
Molecular Weight 509.665 g/mol
SMILES C1CCOC2=C(NCCN(CCNC3=CC=CC=C3OCC1)S(=O)(=O)C1=CC=C(C=C1)C)C=CC=C2