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1-(o,p-Dinitrophenylsulfonyl)-3-methyl-2,3,3a,6,7,7a-hexahydro-1H-indole
SpectraBase Compound ID pA59GK8jDT
InChI InChI=1S/C15H17N3O6S/c1-10-9-16(13-5-3-2-4-12(10)13)25(23,24)15-7-6-11(17(19)20)8-14(15)18(21)22/h2,4,6-8,10,12-13H,3,5,9H2,1H3
InChIKey FBIZDEWUOOMGND-UHFFFAOYSA-N
Mol Weight 367.38 g/mol
Molecular Formula C15H17N3O6S
Exact Mass 367.083806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18FByAHJi9U
Name 1-(o,p-Dinitrophenylsulfonyl)-3-methyl-2,3,3a,6,7,7a-hexahydro-1H-indole
Alternate Name(s) 1-[(2,4-dinitrophenyl)sulfonyl]-3-methyl-2,3,3a,6,7,7a-hexahydro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17N3O6S
InChI InChI=1S/C15H17N3O6S/c1-10-9-16(13-5-3-2-4-12(10)13)25(23,24)15-7-6-11(17(19)20)8-14(15)18(21)22/h2,4,6-8,10,12-13H,3,5,9H2,1H3
InChIKey FBIZDEWUOOMGND-UHFFFAOYSA-N
Molecular Weight 367.376 g/mol
SMILES C1N(C2CCC=CC2C1C)S(=O)(=O)c1c(cc(cc1)N(=O)=O)N(=O)=O
SPLASH splash10-000i-0910000000-dfa5811d63514e8d9844
Source of Spectrum K-2001-3310-2
Wiley ID 1580131