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3,12-Dithiatetracyclo[12.8.0.0(5,10).0(16,21)]docosan-5,7,9,14,16(21),17,19,22(1)-octaene
SpectraBase Compound ID 4z0gBskfvIb
InChI InChI=1S/C20H18S2/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21-13-19(20)9-15(16)5-1/h1-10H,11-14H2
InChIKey XTNHHUITKAIKGF-UHFFFAOYSA-N
Mol Weight 322.48 g/mol
Molecular Formula C20H18S2
Exact Mass 322.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hkoY97mPBu
Name 3,12-Dithiatetracyclo[12.8.0.0(5,10).0(16,21)]docosan-5,7,9,14,16(21),17,19,22(1)-octaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18S2
InChI InChI=1S/C20H18S2/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21-13-19(20)9-15(16)5-1/h1-10H,11-14H2
InChIKey XTNHHUITKAIKGF-UHFFFAOYSA-N
Molecular Weight 322.484 g/mol
SMILES c12c(cc3c(c2)cccc3)CSCc2c(CSC1)cccc2
SPLASH splash10-0f79-0901000000-c16ac043205550a1bd65
Source of Spectrum O-26-654-4
Synonyms 3,12-Dithiatetracyclo[12.8.0.0(5,10).0(16,21)]docosan-5,7,9,14,16,18,20,22(1)-octaene 5,7,14,16-tetrahydronaphtho[2,3-d][2,7]benzodithiecin
Wiley ID 1321935