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DITHIOCARBONIC-ACID-O-ETHYLESTER-S-(1-ISOBUTYL-3A,5,5-TRIMETHYL-2-OXO-OCTAHYDRO-INDOL-7-YL)-ESTER
SpectraBase Compound ID 2XMmNbjfX0X
InChI InChI=1S/C18H31NO2S2/c1-7-21-16(22)23-13-8-17(4,5)11-18(6)9-14(20)19(15(13)18)10-12(2)3/h12-13,15H,7-11H2,1-6H3/t13-,15+,18-/m0/s1
InChIKey CVGPNAPJQPOXGT-JOQOYGCGSA-N
Mol Weight 357.57 g/mol
Molecular Formula C18H31NO2S2
Exact Mass 357.179622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5TpeDWl8tXT
Name DITHIOCARBONIC-ACID-O-ETHYLESTER-S-(1-ISOBUTYL-3A,5,5-TRIMETHYL-2-OXO-OCTAHYDRO-INDOL-7-YL)-ESTER
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H31NO2S2
InChI InChI=1S/C18H31NO2S2/c1-7-21-16(22)23-13-8-17(4,5)11-18(6)9-14(20)19(15(13)18)10-12(2)3/h12-13,15H,7-11H2,1-6H3/t13-,15+,18-/m0/s1
InChIKey CVGPNAPJQPOXGT-JOQOYGCGSA-N
Literature Reference Author F.GAGOSZ,C.MOUTRILLE,S.Z.ZARD
Literature Reference Citation ORG.LETTERS,4,2707(2002)
Literature Reference DOI 10.1021/ol026221m
Molecular Weight 357.570 g/mol
Sample ID 28412
Solvent CDCl3