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4-[3,3-Di(acetoxymethyl)prop-2-enyl]-N-tosy-3-(2,2-dimethoxyethyl)indole
SpectraBase Compound ID CgpLNID5Iek
InChI InChI=1S/C28H33NO8S/c1-19-9-13-25(14-10-19)38(32,33)29-16-24(15-27(34-4)35-5)28-23(7-6-8-26(28)29)12-11-22(17-36-20(2)30)18-37-21(3)31/h6-14,16,22,27H,15,17-18H2,1-5H3/b12-11+
InChIKey TWGNFNGMXJMIPX-VAWYXSNFSA-N
Mol Weight 543.6 g/mol
Molecular Formula C28H33NO8S
Exact Mass 543.192688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aOIrSOqE7O
Name 4-[3,3-Di(acetoxymethyl)prop-2-enyl]-N-tosy-3-(2,2-dimethoxyethyl)indole
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Formula C28H33NO8S
InChI InChI=1S/C28H33NO8S/c1-19-9-13-25(14-10-19)38(32,33)29-16-24(15-27(34-4)35-5)28-23(7-6-8-26(28)29)12-11-22(17-36-20(2)30)18-37-21(3)31/h6-14,16,22,27H,15,17-18H2,1-5H3/b12-11+
InChIKey TWGNFNGMXJMIPX-VAWYXSNFSA-N
Molecular Weight 543.631 g/mol
SMILES c1(S([n]2cc(CC(OC)OC)c3c2cccc3\C=C\C(COC(=O)C)COC(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-004i-9000000000-604fd946d7453019444e
Source of Spectrum H1-43-1506-17
Synonyms 2-[(acetyloxy)methyl]-4-{3-(2,2-dimethoxyethyl)-1-[(4-methylphenyl)sulfonyl]-1H-indol-4-yl}-2-butenyl acetate 4-[3,3-Di(acetoxymethyl)prop-1-enyl]-N-tosyl-3-(2,2-dimethoxyethyl)indole
Wiley ID 757890