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2,15-dithia[3.3](1,3)adamantanometacyclophane
SpectraBase Compound ID BKnGk3YWRoY
InChI InChI=1S/C20H26S2/c1-2-15-4-16(3-1)11-22-14-20-8-17-5-18(9-20)7-19(6-17,12-20)13-21-10-15/h1-4,17-18H,5-14H2/t17-,18+,19+,20-
InChIKey IPLIETDTLNXKCK-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 IQcXxQRScE3
Name 2,15-dithia[3.3](1,3)adamantanometacyclophane
Alternate Name(s) 3,11-dithiapentacyclo[11.5.1.1(1,15).1(5,9).1(13,17)]docosa-5(22),6,8-triene
CAS Registry Number 128191-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26S2
InChI InChI=1S/C20H26S2/c1-2-15-4-16(3-1)11-22-14-20-8-17-5-18(9-20)7-19(6-17,12-20)13-21-10-15/h1-4,17-18H,5-14H2/t17-,18+,19+,20-
InChIKey IPLIETDTLNXKCK-JVSBHGNQSA-N
Molecular Weight 330.548 g/mol
SMILES [C@]123C[C@@]4(CSCc5cc(CSC3)ccc5)C[C@@](C2)(C[C@@](C1)(C4)[H])[H]
SPLASH splash10-0f89-2916000000-3ecfdf6ef5872f9f89be
Source of Spectrum K-124-921-2
Wiley ID 1328106