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Propyl-thiahelicene
SpectraBase Compound ID 6h7tbGQVw4f
InChI InChI=1S/C25H16S4/c1-2-3-13-12-20-23(21-14-8-10-26-16(14)4-6-18(21)28-20)24-22-15-9-11-27-17(15)5-7-19(22)29-25(13)24/h4-12H,2-3H2,1H3
InChIKey VCVFXLKSGLLBKI-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C25H16S4
Exact Mass 444.013485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QI6rP3GoO8
Name Propyl-thiahelicene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16S4
InChI InChI=1S/C25H16S4/c1-2-3-13-12-20-23(21-14-8-10-26-16(14)4-6-18(21)28-20)24-22-15-9-11-27-17(15)5-7-19(22)29-25(13)24/h4-12H,2-3H2,1H3
InChIKey VCVFXLKSGLLBKI-UHFFFAOYSA-N
Molecular Weight 444.643 g/mol
SMILES c12c3c4c(ccc5c4ccs5)sc3cc(c2sc2c1c1c(scc1)cc2)CCC
SPLASH splash10-014l-0000900000-b0495ec6f751d65c759d
Source of Spectrum HE-2005-1141-10
Wiley ID 1613719