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2-Aceoxymethyl-3-bis(5-methylthien-2-yl)methyl-1-phenylsulfonylindole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Aceoxymethyl-3-bis(5-methylthien-2-yl)methyl-1-phenylsulfonylindole
SpectraBase Compound ID F829d1thdyI
InChI InChI=1S/C28H25NO4S3/c1-18-13-15-25(34-18)28(26-16-14-19(2)35-26)27-22-11-7-8-12-23(22)29(24(27)17-33-20(3)30)36(31,32)21-9-5-4-6-10-21/h4-16,28H,17H2,1-3H3
InChIKey HLMRCGIFUYGQDW-UHFFFAOYSA-N
Mol Weight 535.69 g/mol
Molecular Formula C28H25NO4S3
Exact Mass 535.094572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5X253MRsG2h
Name 2-Aceoxymethyl-3-bis(5-methylthien-2-yl)methyl-1-phenylsulfonylindole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 535.094571807 u
Formula C28H25NO4S3
InChI InChI=1S/C28H25NO4S3/c1-18-13-15-25(34-18)28(26-16-14-19(2)35-26)27-22-11-7-8-12-23(22)29(24(27)17-33-20(3)30)36(31,32)21-9-5-4-6-10-21/h4-16,28H,17H2,1-3H3
InChIKey HLMRCGIFUYGQDW-UHFFFAOYSA-N
Molecular Weight 535.691 g/mol
SMILES C1(S(N2C(=C(C(C=3SC(C)=CC3)C=3SC(C)=CC3)C3=C2C=CC=C3)COC(=O)C)(=O)=O)=CC=CC=C1