For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KHi2slnKBXh
Name 2-Aceoxymethyl-3-bis(5-methylthien-2-yl)methyl-1-phenylsulfonylindole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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([n]2c(c(C(c3sc(C)cc3)c3sc(C)cc3)c3c2cccc3)COC(=O)C)(=O)=O)ccccc1
SPLASH splash10-000i-0000090000-d730f083bb2a10fa1e31
Source of Spectrum U1-2011-931-14
Synonyms acetic acid [1-(benzenesulfonyl)-3-[bis(5-methyl-2-thiophenyl)methyl]-2-indolyl]methyl ester [1-(benzenesulfonyl)-3-[bis(5-methylthiophen-2-yl)methyl]indol-2-yl]methyl acetate [1-(benzenesulfonyl)-3-[bis(5-methyl-2-thienyl)methyl]indol-2-yl]methyl acetate [3-[bis(5-methylthiophen-2-yl)methyl]-1-(phenylsulfonyl)indol-2-yl]methyl ethanoate
Wiley ID 1664928