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6H,12H-Dibenzo[b,f][1,5]dithiocin-6,12-imine, 13-(4-methoxyphenyl)-
SpectraBase Compound ID 6mBHvAfSAs6
InChI InChI=1S/C21H17NOS2/c1-23-15-12-10-14(11-13-15)22-20-16-6-2-4-8-18(16)24-21(22)17-7-3-5-9-19(17)25-20/h2-13,20-21H,1H3/t20-,21-/m0/s1
InChIKey XWHQELSQZHODMX-SFTDATJTSA-N
Mol Weight 363.49 g/mol
Molecular Formula C21H17NOS2
Exact Mass 363.075157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtxNhBDWkje
Name 6H,12H-Dibenzo[b,f][1,5]dithiocin-6,12-imine, 13-(4-methoxyphenyl)-
Alternate Name(s) 17-(4-methoxyphenyl)-8,16-dithia-17-azatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaene 4-(8,16-dithia-17-azatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaen-17-yl)phenyl methyl ether N-p-methoxyphenyl-6,12-imino-6H,12H-dibenzo[b,f][1,5]dithiocin
CAS Registry Number 53563-22-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NOS2
InChI InChI=1S/C21H17NOS2/c1-23-15-12-10-14(11-13-15)22-20-16-6-2-4-8-18(16)24-21(22)17-7-3-5-9-19(17)25-20/h2-13,20-21H,1H3/t20-,21-/m0/s1
InChIKey XWHQELSQZHODMX-SFTDATJTSA-N
Molecular Weight 363.493 g/mol
SMILES [C@]12(N([C@](c3c(S2)cccc3)(Sc2ccccc12)[H])c1ccc(cc1)OC)[H]
SPLASH splash10-0ind-2769000000-7ccc8178d964ef0ff1fb
Source of Spectrum B-29-1425-0
Wiley ID 1350266