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1-(o-Nitrophenylsulfonyl)-3-methyl-2,3,3a,6,7,7a-hexahydro-1H-indole
SpectraBase Compound ID I7MLkaE78Yj
InChI InChI=1S/C15H18N2O4S/c1-11-10-16(13-7-3-2-6-12(11)13)22(20,21)15-9-5-4-8-14(15)17(18)19/h2,4-6,8-9,11-13H,3,7,10H2,1H3
InChIKey BLPVXFOQCAFGDF-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C15H18N2O4S
Exact Mass 322.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdZ1er9mBct
Name 1-(o-Nitrophenylsulfonyl)-3-methyl-2,3,3a,6,7,7a-hexahydro-1H-indole
Alternate Name(s) 3-Methyl-1-[(2-nitrophenyl)sulfonyl]-2,3,3a,6,7,7a-hexahydro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O4S
InChI InChI=1S/C15H18N2O4S/c1-11-10-16(13-7-3-2-6-12(11)13)22(20,21)15-9-5-4-8-14(15)17(18)19/h2,4-6,8-9,11-13H,3,7,10H2,1H3
InChIKey BLPVXFOQCAFGDF-UHFFFAOYSA-N
Molecular Weight 322.379 g/mol
SMILES C1N(C2CCC=CC2C1C)S(=O)(=O)c1c(cccc1)N(=O)=O
SPLASH splash10-000i-0900000000-96bc3ef107783417af95
Source of Spectrum K-2001-3310-2
Wiley ID 1580133