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3-(3,4-Methylenedioxyphenyl)-N-tosyl-1,2,3,5,6,7-hexahydro-7a.beta.-H-indole

View entire compound with spectra: 1 MS (GC)

3-(3,4-Methylenedioxyphenyl)-N-tosyl-1,2,3,5,6,7-hexahydro-7a.beta.-H-indole
SpectraBase Compound ID ICm1sjL5WDC
InChI InChI=1S/C22H23NO4S/c1-15-6-9-17(10-7-15)28(24,25)23-13-19(18-4-2-3-5-20(18)23)16-8-11-21-22(12-16)27-14-26-21/h4,6-12,19-20H,2-3,5,13-14H2,1H3/t19-,20-/m0/s1
InChIKey DLJWIADWNAZUCJ-PMACEKPBSA-N
Mol Weight 397.49 g/mol
Molecular Formula C22H23NO4S
Exact Mass 397.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6w1DGuw555S
Name 3-(3,4-Methylenedioxyphenyl)-N-tosyl-1,2,3,5,6,7-hexahydro-7a.beta.-H-indole
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Formula C22H23NO4S
InChI InChI=1S/C22H23NO4S/c1-15-6-9-17(10-7-15)28(24,25)23-13-19(18-4-2-3-5-20(18)23)16-8-11-21-22(12-16)27-14-26-21/h4,6-12,19-20H,2-3,5,13-14H2,1H3/t19-,20-/m0/s1
InChIKey DLJWIADWNAZUCJ-PMACEKPBSA-N
Molecular Weight 397.489 g/mol
SMILES [C@]12(N(S(c3ccc(cc3)C)(=O)=O)C[C@](C1=CCCC2)(c1cc2OCOc2cc1)[H])[H]
SPLASH splash10-0006-7096000000-1c742a5acef2314453ad
Source of Spectrum K-2001-1347-14
Synonyms (3S,7aS)-3-(1,3-benzodioxol-5-yl)-1-(p-tolylsulfonyl)-2,3,5,6,7,7a-hexahydroindole (3S,7aS)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2,3,5,6,7,7a-hexahydroindole
Wiley ID 1579086