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7a-(1',3'-Benzodioxol-5'-yl)-1-[2"-(phenylsulfinyl)ethyl]-3,4,5,6,7,7a-hexahydro-2-indolinone
SpectraBase Compound ID 4HfhF0MpaH2
InChI InChI=1S/C23H25NO4S/c25-22-15-17-6-4-5-11-23(17,18-9-10-20-21(14-18)28-16-27-20)24(22)12-13-29(26)19-7-2-1-3-8-19/h1-3,7-10,14,17H,4-6,11-13,15-16H2
InChIKey OZISQBKVQCJNRM-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C23H25NO4S
Exact Mass 411.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3lILdkKeG
Name 7a-(1',3'-Benzodioxol-5'-yl)-1-[2"-(phenylsulfinyl)ethyl]-3,4,5,6,7,7a-hexahydro-2-indolinone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO4S
InChI InChI=1S/C23H25NO4S/c25-22-15-17-6-4-5-11-23(17,18-9-10-20-21(14-18)28-16-27-20)24(22)12-13-29(26)19-7-2-1-3-8-19/h1-3,7-10,14,17H,4-6,11-13,15-16H2
InChIKey OZISQBKVQCJNRM-UHFFFAOYSA-N
Molecular Weight 411.516 g/mol
SMILES C12(N(C(CC2CCCC1)=O)CCS(=O)c1ccccc1)c1cc2OCOc2cc1
SPLASH splash10-001u-0095000000-f42e7a150138f6ff92bd
Source of Spectrum U1-1999-914-33
Synonyms 7a-(1',3'-Benzodioxol-5'-yl)-1-[2''-(phenylsulfinyl)ethyl]-3,4,5,6,7,7a-hexahydro-2-indolinone 7a-(1,3-benzodioxol-5-yl)-1-[2-(phenylsulfinyl)ethyl]octahydro-2H-indol-2-one
Wiley ID 752566