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Ethyl 8-phenylpyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate
SpectraBase Compound ID Ees41veGqQM
InChI InChI=1S/C17H13N3O2S/c1-2-22-17(21)15-11-8-9-12-16(20-23-19-12)13(11)14(18-15)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3
InChIKey ICIQXYWTSKMKJX-UHFFFAOYSA-N
Mol Weight 323.37 g/mol
Molecular Formula C17H13N3O2S
Exact Mass 323.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AstU2LiBqfn
Name Ethyl 8-phenylpyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate
Alternate Name(s) Ethyl 8-phenyl-7H-[1,2,5]thiadiazolo[3,4-e]isoindole-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N3O2S
InChI InChI=1S/C17H13N3O2S/c1-2-22-17(21)15-11-8-9-12-16(20-23-19-12)13(11)14(18-15)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3
InChIKey ICIQXYWTSKMKJX-UHFFFAOYSA-N
Molecular Weight 323.370 g/mol
SMILES [nH]1c(c2c(c1-c1ccccc1)c1c(cc2)nsn1)C(=O)OCC
SPLASH splash10-0002-0091000000-08fd69bc5d2245c6d8c8
Source of Spectrum KC-0-2674-3
Wiley ID 831478