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3-Benzylidene-N-phenyl-4-tosyloctahydrocyclohepta[b][1,4]thiazin-2(3H)-imine
SpectraBase Compound ID 1pAsxJb8HsX
InChI InChI=1S/C29H30N2O2S2/c1-22-17-19-25(20-18-22)35(32,33)31-26-15-9-4-10-16-28(26)34-29(30-24-13-7-3-8-14-24)27(31)21-23-11-5-2-6-12-23/h2-3,5-8,11-14,17-21,26,28H,4,9-10,15-16H2,1H3
InChIKey WDWHJXXELYEXFO-UHFFFAOYSA-N
Mol Weight 502.69 g/mol
Molecular Formula C29H30N2O2S2
Exact Mass 502.174871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GT6ajgx3k0n
Name 3-Benzylidene-N-phenyl-4-tosyloctahydrocyclohepta[b][1,4]thiazin-2(3H)-imine
Appearance Pale yellow powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30N2O2S2
InChI InChI=1S/C29H30N2O2S2/c1-22-17-19-25(20-18-22)35(32,33)31-26-15-9-4-10-16-28(26)34-29(30-24-13-7-3-8-14-24)27(31)21-23-11-5-2-6-12-23/h2-3,5-8,11-14,17-21,26,28H,4,9-10,15-16H2,1H3
InChIKey WDWHJXXELYEXFO-UHFFFAOYSA-N
Instrument Name FinniganMAT-8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3418
Molecular Weight 502.691 g/mol
SMILES C1(=Nc2ccccc2)C(=Cc2ccccc2)N(S(c2ccc(C)cc2)(=O)=O)C2C(S1)CCCCC2
SPLASH splash10-0a6r-7900000000-604f270aee588d7d5db3
Source of Spectrum Y-56-453-4f
Wiley ID 1859388