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1-{[4-(4-ethylphenyl)piperazine-1-sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one
SpectraBase Compound ID Jiuyu8ld0Sd
InChI InChI=1S/C22H32N2O3S/c1-4-17-5-7-19(8-6-17)23-11-13-24(14-12-23)28(26,27)16-22-10-9-18(15-20(22)25)21(22,2)3/h5-8,18H,4,9-16H2,1-3H3/t18-,22-/m0/s1
InChIKey UTHJNXUAYHPAKD-AVRDEDQJSA-N
Mol Weight 404.6 g/mol
Molecular Formula C22H32N2O3S
Exact Mass 404.213364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzyHLdz6FDU
Name 1-{[4-(4-ethylphenyl)piperazine-1-sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O3S
InChI InChI=1S/C22H32N2O3S/c1-4-17-5-7-19(8-6-17)23-11-13-24(14-12-23)28(26,27)16-22-10-9-18(15-20(22)25)21(22,2)3/h5-8,18H,4,9-16H2,1-3H3/t18-,22-/m0/s1
InChIKey UTHJNXUAYHPAKD-AVRDEDQJSA-N
Molecular Weight 404.569 g/mol
SMILES [C@]12(CC(=O)[C@@](C2(C)C)(CS(=O)(=O)N2CCN(CC2)c2ccc(cc2)CC)CC1)[H]
SPLASH splash10-052r-8900000000-3ebbb50ada8ab74516de
Source of Spectrum IY-2-4968-0
Synonyms Bicyclo[2.2.1]heptan-2-one, 1-[[[4-(4-ethylphenyl)-1-piperazinyl]sulfonyl]methyl]-7,7-dimethyl- 4-[[4-(4-ethylphenyl)-1-piperazinyl]sulfonylmethyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanone 4-[[4-(4-ethylphenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one 1-[[4-(4-ethylphenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethyl-norbornan-2-one 4-[[4-(4-ethylphenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethyl-bicyclo[2.2.1]heptan-3-one
Wiley ID 1657663