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2,13-Dithia[3](1,4)naphthaleno[3](2,6)pyridinophane, 19-(dimethylamino-
SpectraBase Compound ID tkdawUXym1
InChI InChI=1S/C21H23BrN2S2/c1-23(2)17-9-18-13-25-11-15-7-8-16(21-6-4-3-5-20(15)21)12-26-14-19(10-17)24(18)22/h3-10,24H,11-14H2,1-2H3
InChIKey ANWWIVXPRBCVED-UHFFFAOYSA-N
Mol Weight 447.45 g/mol
Molecular Formula C21H23BrN2S2
Exact Mass 446.048604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gemNOxN8P1
Name 2,13-Dithia[3](1,4)naphthaleno[3](2,6)pyridinophane, 19-(dimethylamino-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23BrN2S2
InChI InChI=1S/C21H23BrN2S2/c1-23(2)17-9-18-13-25-11-15-7-8-16(21-6-4-3-5-20(15)21)12-26-14-19(10-17)24(18)22/h3-10,24H,11-14H2,1-2H3
InChIKey ANWWIVXPRBCVED-UHFFFAOYSA-N
Molecular Weight 447.453 g/mol
SMILES C1c2cc(cc(n2Br)CSCc2c3c(c(CS1)cc2)cccc3)N(C)C
SPLASH splash10-00lr-1903000000-d5749313b5d2281d4ae8
Synonyms 2,13-Dithia[3](1,4)naphthalino[3](2,6)pyridinophan, 19-(dimethylamino- 22-bromo-N,N-dimethyl-3,11-dithia-22lambda(5)-azatetracyclo[11.6.2.1(5,9).0(14,19)]docosa-1(19),5(22),6,8,13,15,17,20-octaen-7-amine N-[22-bromo-3,11-dithia-22lambda(5)-azatetracyclo[11.6.2.1(5,9).0(14,19)]docosa-1(19),5(22),6,8,13,15,17,20-octaen-7-yl]-N,N-dimethylamine
Wiley ID 1493684