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2-Thia-5-azadibenz[cd,g]azulene-5(4H)-carbonitrile, 3,5a,6,11-tetrahydro-8,9-dimethoxy-, (.+-.)-
SpectraBase Compound ID DoUm5awe7ml
InChI InChI=1S/C18H18N2O2S/c1-21-15-7-11-5-13-9-23-17-3-4-20(10-19)14(18(13)17)6-12(11)8-16(15)22-2/h7-9,14H,3-6H2,1-2H3
InChIKey ZAXNQHOSDDLWHP-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C18H18N2O2S
Exact Mass 326.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IC8VrwWXzOS
Name 2-Thia-5-azadibenz[cd,g]azulene-5(4H)-carbonitrile, 3,5a,6,11-tetrahydro-8,9-dimethoxy-, (.+-.)-
CAS Registry Number 118553-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O2S
InChI InChI=1S/C18H18N2O2S/c1-21-15-7-11-5-13-9-23-17-3-4-20(10-19)14(18(13)17)6-12(11)8-16(15)22-2/h7-9,14H,3-6H2,1-2H3
InChIKey ZAXNQHOSDDLWHP-UHFFFAOYSA-N
Molecular Weight 326.414 g/mol
SMILES c12c3csc2CCN(C1Cc1cc(OC)c(cc1C3)OC)C#N
SPLASH splash10-004i-0069000000-6b137ce31b873133da21
Source of Spectrum B-41-581-5
Synonyms 5-cyano-8,9-dimethoxy-3,4,5,5a,6,11-hexahydro-2-thia-5-azadibenzo[cd,g]azulene 8,9-Dimethoxy-1,2,3,6,11,11a-hexahydrobenzo[5,6]cyclohepta[1,2,3-c,d]thieno[3.2-c]pyridine-1-carbonitrile
Wiley ID 1324742