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cis-and trans-Ethyl 2-methyl-4-(phenylthio)-1-tosyl-1,2,5,6-tetrahydro-6-pyridinecarboxylate
SpectraBase Compound ID 6XT2QhcMle8
InChI InChI=1S/C22H25NO4S2/c1-4-27-22(24)21-15-19(28-18-8-6-5-7-9-18)14-17(3)23(21)29(25,26)20-12-10-16(2)11-13-20/h5-14,17,21H,4,15H2,1-3H3/t17-,21+/m0/s1
InChIKey IXACLVNULUIZQP-LAUBAEHRSA-N
Mol Weight 431.57 g/mol
Molecular Formula C22H25NO4S2
Exact Mass 431.122501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXaSaAMn8DH
Name cis-and trans-Ethyl 2-methyl-4-(phenylthio)-1-tosyl-1,2,5,6-tetrahydro-6-pyridinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO4S2
InChI InChI=1S/C22H25NO4S2/c1-4-27-22(24)21-15-19(28-18-8-6-5-7-9-18)14-17(3)23(21)29(25,26)20-12-10-16(2)11-13-20/h5-14,17,21H,4,15H2,1-3H3/t17-,21+/m0/s1
InChIKey IXACLVNULUIZQP-LAUBAEHRSA-N
Molecular Weight 431.565 g/mol
SMILES [C@@]1(N(S(c2ccc(C)cc2)(=O)=O)[C@](C=C(C1)Sc1ccccc1)(C)[H])(C(=O)OCC)[H]
SPLASH splash10-004i-1191100000-b829e4008597bbd35fe1
Source of Spectrum F-67-5400-17
Wiley ID 1687067