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(anti / syn)-2,11-Dithia-18-methyl-9-(2' -naphthyl)[3.3]metacyclophane
SpectraBase Compound ID JgBGwBW1XTl
InChI InChI=1S/C27H24S2/c1-19-24-7-4-8-25(19)17-29-18-26-13-20(15-28-16-24)9-12-27(26)23-11-10-21-5-2-3-6-22(21)14-23/h2-14H,15-18H2,1H3
InChIKey KKXIOKQJXZOMAQ-UHFFFAOYSA-N
Mol Weight 412.61 g/mol
Molecular Formula C27H24S2
Exact Mass 412.131943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWrZNbRzQhm
Name (anti / syn)-2,11-Dithia-18-methyl-9-(2' -naphthyl)[3.3]metacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24S2
InChI InChI=1S/C27H24S2/c1-19-24-7-4-8-25(19)17-29-18-26-13-20(15-28-16-24)9-12-27(26)23-11-10-21-5-2-3-6-22(21)14-23/h2-14H,15-18H2,1H3
InChIKey KKXIOKQJXZOMAQ-UHFFFAOYSA-N
Molecular Weight 412.609 g/mol
SMILES c1(-c2cc3c(cccc3)cc2)c2cc(CSCc3cccc(c3C)CSC2)cc1
SPLASH splash10-03fr-0090300000-1bd35434cbb0fbbe6f97
Source of Spectrum C-126-914-10a
Wiley ID 1701466