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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 C8aDCv1eSvu
Name 2,5-Dithia[3.3](1,3)adamantanoparacyclophane
Alternate Name(s) 2,5-Dithia[3.3](1,3)-adamantono paracyclophane 3,21-dithiapentacyclo[13.2.2.1(5,9).1(5,11).1(7,11)]docosa-1(17),15,18-triene
CAS Registry Number 131353-67-8
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
Molecular Weight 330.548 g/mol
SMILES [C@]123C[C@@]4(C[C@](C3)(C[C@](C1)(C4)[H])[H])CSCc1ccc(CSC2)cc1
SPLASH splash10-0ue9-0906000000-05781afe0267e091b027
Source of Spectrum K-124-921-4
Wiley ID 1328107