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THIOTHIXEN-EARTIFACT
SpectraBase Compound ID 7kTTEyV6rcW
InChI InChI=1S/C22H27N3O2S2/c1-24(2)29(26,27)17-9-10-20-18(7-5-13-25-14-11-23-12-15-25)19-6-3-4-8-21(19)28-22(20)16-17/h3-4,6-10,16,23H,5,11-15H2,1-2H3/b18-7+
InChIKey WPTHWRGQECOICM-CNHKJKLMSA-N
Mol Weight 429.6 g/mol
Molecular Formula C22H27N3O2S2
Exact Mass 429.154469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1c4egtoZ5Yr
Name THIOTHIXEN-EARTIFACT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H27N3O2S2
InChI InChI=1S/C22H27N3O2S2/c1-24(2)29(26,27)17-9-10-20-18(7-5-13-25-14-11-23-12-15-25)19-6-3-4-8-21(19)28-22(20)16-17/h3-4,6-10,16,23H,5,11-15H2,1-2H3/b18-7+
InChIKey WPTHWRGQECOICM-CNHKJKLMSA-N
Instrument Name GC
Molecular Weight 429.597 g/mol
SMILES N1CCN(CC1)CC\C=C\1c2ccc(S(N(C)C)(=O)=O)cc2Sc2c1cccc2
SPLASH splash10-001r-1291000000-d0988958d9ccdefb8235
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany