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3,6:13,10:18,15:22,1-Tetrametheno-7H,9H-dicyclopenta[f,q][1,12]dithiacyclodocosin, 2,4,19,21-tetrahydro-, stereoisomer
SpectraBase Compound ID CqYfEgdJ03J
InChI InChI=1S/C30H24S2/c1-2-19-4-8-25-23(12-19)16-24-13-21(6-9-26(24)25)17-31-18-22-7-11-28-27-10-5-20(3-1)14-29(27)32-30(28)15-22/h4-15H,1-3,16-18H2
InChIKey ZXYQKRZYJOFXMG-UHFFFAOYSA-N
Mol Weight 448.64 g/mol
Molecular Formula C30H24S2
Exact Mass 448.131943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ibtsvoSaVR
Name 3,6:13,10:18,15:22,1-Tetrametheno-7H,9H-dicyclopenta[f,q][1,12]dithiacyclodocosin, 2,4,19,21-tetrahydro-, stereoisomer
CAS Registry Number 95909-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H24S2
InChI InChI=1S/C30H24S2/c1-2-19-4-8-25-23(12-19)16-24-13-21(6-9-26(24)25)17-31-18-22-7-11-28-27-10-5-20(3-1)14-29(27)32-30(28)15-22/h4-15H,1-3,16-18H2
InChIKey ZXYQKRZYJOFXMG-UHFFFAOYSA-N
Molecular Weight 448.642 g/mol
SMILES c12sc3cc4CCCc5cc6Cc7cc(CSCc(ccc2c3cc4)c1)ccc7-c6cc5
SPLASH splash10-0006-0910000000-90365a36b0252e6601f5
Source of Spectrum K-118-157-14
Synonyms 2,14-Dithia[3.3](2,7)fluorenophane 2,9-Dithiaheptacyclo[23.3.1.1(3,7).1(11,15).1(17,21).0(4,28).0(14,18)]dotriaconta-1(29),3(32),4,6,11(31),12,14,17(30),18,20,25,27-dodecaene
Wiley ID 1387358