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7-Methyl-3,11-dithiatetracyclo[11.6.2.1(5,9).0(17,21)-docosan-5,7,9(22),13,15,17(21),18,1(20)-octaene
SpectraBase Compound ID HavfV3i2IZb
InChI InChI=1S/C21H20S2/c1-15-7-17-9-18(8-15)13-23-14-20-4-2-3-19-6-5-16(10-21(19)20)11-22-12-17/h2-10H,11-14H2,1H3
InChIKey RFTCXBRRRUDNEB-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 3vjBRkEWCZJ
Name 7-Methyl-3,11-dithiatetracyclo[11.6.2.1(5,9).0(17,21)-docosan-5,7,9(22),13,15,17(21),18,1(20)-octaene
Alternate Name(s) 7-Methyl-3,11-dithiatetracyclo[11.6.2.1(5,9).0(16,20)]docosa-1(20),5(22),6,8,13,15,16,18,20-nonaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20S2
InChI InChI=1S/C21H20S2/c1-15-7-17-9-18(8-15)13-23-14-20-4-2-3-19-6-5-16(10-21(19)20)11-22-12-17/h2-10H,11-14H2,1H3
InChIKey RFTCXBRRRUDNEB-UHFFFAOYSA-N
Molecular Weight 336.511 g/mol
SMILES c12cc3CSCc4cc(cc(CSCc2cccc1cc3)c4)C
SPLASH splash10-0frl-0901000000-763b3ff6b113e183e12f
Source of Spectrum O-26-654-14
Wiley ID 1332634