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2-[(1,2,3,3A,4,9B-HEXAHYDRO-1,3-DIOXO-9H-4,9A-ETHANOTHIOPYRANO-[3,4-E]-ISOINDOL-4-YL)-OXY]-ETHYL-ETHANOATE
SpectraBase Compound ID 54o7CFV7gKj
InChI InChI=1S/C23H23NO5S/c1-15(25)28-10-11-29-23-9-8-22(14-30-12-7-16(22)13-23)18-19(23)21(27)24(20(18)26)17-5-3-2-4-6-17/h2-7,12-13,18-19H,8-11,14H2,1H3
InChIKey WBOLLSBTUUNTLH-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C23H23NO5S
Exact Mass 425.129694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAaJAW3p9V
Name 2-[(1,2,3,3A,4,9B-HEXAHYDRO-1,3-DIOXO-9H-4,9A-ETHANOTHIOPYRANO-[3,4-E]-ISOINDOL-4-YL)-OXY]-ETHYL-ETHANOATE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23NO5S
InChI InChI=1S/C23H23NO5S/c1-15(25)28-10-11-29-23-9-8-22(14-30-12-7-16(22)13-23)18-19(23)21(27)24(20(18)26)17-5-3-2-4-6-17/h2-7,12-13,18-19H,8-11,14H2,1H3
InChIKey WBOLLSBTUUNTLH-UHFFFAOYSA-N
Literature Reference Author D.E.WARD,Y.GAI
Literature Reference Citation CAN.J.CHEM.,75,681(1997)
Literature Reference DOI 10.1139/v97-082
Molecular Weight 425.499 g/mol
Solvent CDCl3
Source File Reference UWCP5008