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2-benzyloxy-cyclohexylbenzo[b][1,4]dithiine
SpectraBase Compound ID 1W3OhIj92Hn
InChI InChI=1S/C21H22OS2/c1-2-8-16(9-3-1)14-22-18-11-5-4-10-17(18)21-15-23-19-12-6-7-13-20(19)24-21/h1-3,6-9,12-13,15,17-18H,4-5,10-11,14H2
InChIKey FPDJEIRURQGMKM-UHFFFAOYSA-N
Mol Weight 354.53 g/mol
Molecular Formula C21H22OS2
Exact Mass 354.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6J9j77MgBpO
Name 2-benzyloxy-cyclohexylbenzo[b][1,4]dithiine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.111207675 u
Formula C21H22OS2
InChI InChI=1S/C21H22OS2/c1-2-8-16(9-3-1)14-22-18-11-5-4-10-17(18)21-15-23-19-12-6-7-13-20(19)24-21/h1-3,6-9,12-13,15,17-18H,4-5,10-11,14H2
InChIKey FPDJEIRURQGMKM-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502099
Molecular Weight 354.526 g/mol
Quality 920
SMILES C1CCCC(C1OCC1=CC=CC=C1)C=1SC2=C(SC1)C=CC=C2
SPLASH splash10-0f6x-9811000000-65942f2ebfb25b8e1475
Source of Spectrum QE-21-SM90-90-1 (DOI: 10.1002/chem.201502099)
Wiley ID 1911356