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7-Methyl-3,11-dithiatetracyclo[11.8.0.1(5,9).0(15,20)]docosan-5,7,9(22),13,15,17,19,21(1)-octaene
SpectraBase Compound ID 4Oudgvl65KZ
InChI InChI=1S/C21H20S2/c1-15-6-16-8-17(7-15)12-23-14-21-10-19-5-3-2-4-18(19)9-20(21)13-22-11-16/h2-10H,11-14H2,1H3
InChIKey FKHXDIXWGZUYDR-UHFFFAOYSA-N
Mol Weight 336.51 g/mol
Molecular Formula C21H20S2
Exact Mass 336.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSpYEpFVRQF
Name 7-Methyl-3,11-dithiatetracyclo[11.8.0.1(5,9).0(15,20)]docosan-5,7,9(22),13,15,17,19,21(1)-octaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20S2
InChI InChI=1S/C21H20S2/c1-15-6-16-8-17(7-15)12-23-14-21-10-19-5-3-2-4-18(19)9-20(21)13-22-11-16/h2-10H,11-14H2,1H3
InChIKey FKHXDIXWGZUYDR-UHFFFAOYSA-N
Molecular Weight 336.511 g/mol
SMILES c12c(cc3c(c2)cccc3)CSCc2cc(cc(CSC1)c2)C
SPLASH splash10-000i-0900000000-e4f2af910d40265e8285
Source of Spectrum O-26-654-3
Synonyms 3,11-Dithia-7-methyltetracyclo[11.8.0.1(5,9).0(15,20)]docosan-5,7,9(22),13,15,17,19,21(1)-octaene 20-Methyl-3,16-dithiatetracyclo[16.3.1.0(5,14).0(7,12)]docosa-1(22),5,7,9,11,13,18,20-octaene
Wiley ID 1332632