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2-Aceoxymethyl-3-(Diacetoxymethyl)-1-phenylsulfonylindole
SpectraBase Compound ID GsEbvmNd4GY
InChI InChI=1S/C22H21NO8S/c1-14(24)29-13-20-21(22(30-15(2)25)31-16(3)26)18-11-7-8-12-19(18)23(20)32(27,28)17-9-5-4-6-10-17/h4-12,22H,13H2,1-3H3
InChIKey HSMQVVILZGTEKJ-UHFFFAOYSA-N
Mol Weight 459.47 g/mol
Molecular Formula C22H21NO8S
Exact Mass 459.098788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oj3ATXlyCa
Name 2-Aceoxymethyl-3-(Diacetoxymethyl)-1-phenylsulfonylindole
Alternate Name(s) acetic acid [1-(benzenesulfonyl)-3-(diacetyloxymethyl)-2-indolyl]methyl ester [1-(benzenesulfonyl)-3-(diacetyloxymethyl)indol-2-yl]methyl acetate [1-(benzenesulfonyl)-3-(diacetoxymethyl)indol-2-yl]methyl acetate [3-(diacetyloxymethyl)-1-(phenylsulfonyl)indol-2-yl]methyl ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C22H21NO8S
InChI InChI=1S/C22H21NO8S/c1-14(24)29-13-20-21(22(30-15(2)25)31-16(3)26)18-11-7-8-12-19(18)23(20)32(27,28)17-9-5-4-6-10-17/h4-12,22H,13H2,1-3H3
InChIKey HSMQVVILZGTEKJ-UHFFFAOYSA-N
Molecular Weight 459.469 g/mol
SMILES c1(S([n]2c(c(C(OC(=O)C)OC(=O)C)c3c2cccc3)COC(=O)C)(=O)=O)ccccc1
SPLASH splash10-0a4i-0000900000-9999e2edcc73a8e8342d
Source of Spectrum U1-2011-931-13
Wiley ID 1664929