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syn-9-methyl-2,11-dithia[3.3](1,4)-naphthalenometacyclophanes
SpectraBase Compound ID CfoxdQVF1Zq
InChI InChI=1S/C21H20S2/c1-15-12-23-21-10-9-18(19-7-2-3-8-20(19)21)14-22-13-16-5-4-6-17(15)11-16/h2-11,15H,12-14H2,1H3
InChIKey FODPADZOFANFEV-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 6qcEfGOmMin
Name syn-9-methyl-2,11-dithia[3.3](1,4)-naphthalenometacyclophanes
CAS Registry Number 123487-51-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20S2
InChI InChI=1S/C21H20S2/c1-15-12-23-21-10-9-18(19-7-2-3-8-20(19)21)14-22-13-16-5-4-6-17(15)11-16/h2-11,15H,12-14H2,1H3
InChIKey FODPADZOFANFEV-UHFFFAOYSA-N
Molecular Weight 336.511 g/mol
SMILES c12SCC(c3cc(CSCc(c4c2cccc4)cc1)ccc3)C
SPLASH splash10-0f79-0903000000-2cbd3df831b56a76cc1c
Source of Spectrum J-54-5994-0
Synonyms anti-9-methyl-2,11-dithia[3.3](1,4)-naphthalenometacyclophanes 4-Methyl-2,11-dithiatetracyclo[11.6.2.1(5,9).0(14,19)]docosa-1(20),5(22),6,8,13(21),14,16,18-octaene Anti-9-methyl-2,11-dithia[3.3](1,4)-naohthalenometacyclophanes
Wiley ID 1332628