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2,15-Dithia[3.3](1,3)adamantanoparacyclophane
SpectraBase Compound ID 40y3W2HCbfU
InChI InChI=1S/C20H26S2/c1-2-16-4-3-15(1)10-21-13-19-6-17-5-18(7-19)9-20(8-17,12-19)14-22-11-16/h1-4,17-18H,5-14H2/t17-,18+,19+,20-
InChIKey VIXAHZBYNJWQJH-JVSBHGNQSA-N
Mol Weight 330.55 g/mol
Molecular Formula C20H26S2
Exact Mass 330.147593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JuyBG7kpRb
Name 2,15-Dithia[3.3](1,3)adamantanoparacyclophane
Alternate Name(s) (1(1)r,1(3)r)-3,7-dithia-1(1,3)-adamantana-5(1,4)-benzenacyclooctaphane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26S2
InChI InChI=1S/C20H26S2/c1-2-16-4-3-15(1)10-21-13-19-6-17-5-18(7-19)9-20(8-17,12-19)14-22-11-16/h1-4,17-18H,5-14H2/t17-,18+,19+,20-
InChIKey VIXAHZBYNJWQJH-JVSBHGNQSA-N
Literature Reference DOI 10.1002/cber.19941270628
Molecular Weight 330.548 g/mol
SMILES c1c2ccc(CSC[C@]34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])CSC2)c1
SPLASH splash10-0ue9-1908000000-76c50a85ac72e18ee393
Source of Spectrum K-127-1153-3
Wiley ID 1792355