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6-Acetyl-2-benzyloxy-2a-methylsulfanyl-2a,3-dihydro-2H-4,5-dithia-7b-aza-cyclobuta[e]inden-1-one
SpectraBase Compound ID 8IqyOmnwdUf
InChI InChI=1S/C18H17NO3S3/c1-11(20)14-8-13-17(25-14)24-10-18(23-2)15(16(21)19(13)18)22-9-12-6-4-3-5-7-12/h3-8,15H,9-10H2,1-2H3
InChIKey AWWPDPAOGBMENM-UHFFFAOYSA-N
Mol Weight 391.52 g/mol
Molecular Formula C18H17NO3S3
Exact Mass 391.037057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdEPJ1mdkP0
Name 6-Acetyl-2-benzyloxy-2a-methylsulfanyl-2a,3-dihydro-2H-4,5-dithia-7b-aza-cyclobuta[e]inden-1-one
Alternate Name(s) 2-acetyl-6-(benzyloxy)-5a-(methylsulfanyl)-5a,6-dihydroazeto[1,2-d]thieno[2,3-b][1,4]thiazin-7(5H)-one 2-Acetyl-6-benzyloxy-5a,6-dihydroxy-5a-methylthioazeto[1,2-d]thieno[2,3-b][1,4]thiazin-7(5H)-one 2-Acetyl-6-benzyloxy-5a-methylthioazeto[1,2-d]thieno[2,3-b][1,4]thiazin-7(5H)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO3S3
InChI InChI=1S/C18H17NO3S3/c1-11(20)14-8-13-17(25-14)24-10-18(23-2)15(16(21)19(13)18)22-9-12-6-4-3-5-7-12/h3-8,15H,9-10H2,1-2H3
InChIKey AWWPDPAOGBMENM-UHFFFAOYSA-N
Molecular Weight 391.518 g/mol
SMILES C12(N(c3c(SC2)sc(c3)C(=O)C)C(C1OCc1ccccc1)=O)SC
SPLASH splash10-0006-9004000000-3a6dbe3c65efcc5c9aa8
Source of Spectrum H1-38-1633-9
Wiley ID 756563