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6H,12H-Dibenzo[b,f][1,5]dithiocin-6,12-imine, 13-butyl-
SpectraBase Compound ID FG1L011TdnU
InChI InChI=1S/C18H19NS2/c1-2-3-12-19-17-13-8-4-6-10-15(13)20-18(19)14-9-5-7-11-16(14)21-17/h4-11,17-18H,2-3,12H2,1H3/t17-,18-/m1/s1
InChIKey NTUURBULVXGYOA-QZTJIDSGSA-N
Mol Weight 313.48 g/mol
Molecular Formula C18H19NS2
Exact Mass 313.095892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaejJTmAnQZ
Name 6H,12H-Dibenzo[b,f][1,5]dithiocin-6,12-imine, 13-butyl-
CAS Registry Number 53563-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NS2
InChI InChI=1S/C18H19NS2/c1-2-3-12-19-17-13-8-4-6-10-15(13)20-18(19)14-9-5-7-11-16(14)21-17/h4-11,17-18H,2-3,12H2,1H3/t17-,18-/m1/s1
InChIKey NTUURBULVXGYOA-QZTJIDSGSA-N
Molecular Weight 313.477 g/mol
SMILES [C@]12(N([C@](Sc3c2cccc3)(c2c(S1)cccc2)[H])CCCC)[H]
SPLASH splash10-03l0-1395000000-691440547a83531310be
Source of Spectrum B-29-1425-0
Synonyms 17-butyl-8,16-dithia-17-azatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaene n-Butyl-6,12-imino-6H,12H-dibenzo[b,f][1,5]dithiocin
Wiley ID 1314328