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13-Tosyl-8,9,17,18-dibenzo-1,7-dithia-10,13,16-tricyacyclooctadeca-8,17-diene

View entire compound with spectra: 1 NMR

13-Tosyl-8,9,17,18-dibenzo-1,7-dithia-10,13,16-tricyacyclooctadeca-8,17-diene
SpectraBase Compound ID ArnSVlQSRQT
InChI InChI=1S/C28H35N3O2S3/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 MATKYBJHZRVNJX-UHFFFAOYSA-N
Mol Weight 541.8 g/mol
Molecular Formula C28H35N3O2S3
Exact Mass 541.189141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYHYKNCQIRK
Name 13-Tosyl-8,9,17,18-dibenzo-1,7-dithia-10,13,16-tricyacyclooctadeca-8,17-diene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 541.189140899 u
Formula C28H35N3O2S3
InChI InChI=1S/C28H35N3O2S3/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 MATKYBJHZRVNJX-UHFFFAOYSA-N
Molecular Weight 541.787 g/mol
SMILES C12=C(SCCCCCSC3=C(NCCN(CCN2)S(=O)(=O)C2=CC=C(C=C2)C)C=CC=C3)C=CC=C1