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6-Butoxycarbonyl-1,3,4,5,6,7-hexahydro-1,1,3,3-tetramethyl-5-(p-toluenesulfonyl)-2H-pyrrolo[3,4-c]pyridine-2-yloxyl radical
SpectraBase Compound ID 3lszy9Nhu2z
InChI InChI=1S/C23H33N2O5S/c1-7-8-13-30-21(26)20-14-18-19(23(5,6)25(27)22(18,3)4)15-24(20)31(28,29)17-11-9-16(2)10-12-17/h9-12,20H,7-8,13-15H2,1-6H3
InChIKey NUVHQXVFNWJRAY-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C23H34N2O5S
Exact Mass 450.218843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JtJ9YzQFdp
Name 6-Butoxycarbonyl-1,3,4,5,6,7-hexahydro-1,1,3,3-tetramethyl-5-(p-toluenesulfonyl)-2H-pyrrolo[3,4-c]pyridine-2-yloxyl radical
Alternate Name(s) [6-(butoxycarbonyl)-1,1,3,3-tetramethyl-5-(p-toluenesulfonyl)-1,3,4,5,6,7-hexahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]oxyl radical
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33N2O5S
InChI InChI=1S/C23H33N2O5S/c1-7-8-13-30-21(26)20-14-18-19(23(5,6)25(27)22(18,3)4)15-24(20)31(28,29)17-11-9-16(2)10-12-17/h9-12,20H,7-8,13-15H2,1-6H3
InChIKey NUVHQXVFNWJRAY-UHFFFAOYSA-N
Molecular Weight 450.594 g/mol
SMILES ON1C(C=2CN(S(c3ccc(cc3)C)(=O)=O)C(CC2C1(C)C)C(=O)OCCCC)(C)C
SPLASH splash10-000g-3000900000-00b127f08a67554a58d0
Source of Spectrum SO-0-834-2
Wiley ID 877737