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2,9-Diacetyl-4,5,6,7-tetraphenylnaphtho[2,1-b:3,4-b']dithiophene
SpectraBase Compound ID 4e4FbuniLQH
InChI InChI=1S/C42H28O2S2/c1-25(43)33-23-31-39-37(29-19-11-5-12-20-29)35(27-15-7-3-8-16-27)36(28-17-9-4-10-18-28)38(30-21-13-6-14-22-30)40(39)32-24-34(26(2)44)46-42(32)41(31)45-33/h3-24H,1-2H3
InChIKey ORWUKQWXXJQBQL-UHFFFAOYSA-N
Mol Weight 628.8 g/mol
Molecular Formula C42H28O2S2
Exact Mass 628.153072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPgBVdgJfDa
Name 2,9-Diacetyl-4,5,6,7-tetraphenylnaphtho[2,1-b:3,4-b']dithiophene
Alternate Name(s) 1-(9-acetyl-4,5,6,7-tetraphenylthieno[2',3':3,4]naphtho[2,1-b]thien-2-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H28O2S2
InChI InChI=1S/C42H28O2S2/c1-25(43)33-23-31-39-37(29-19-11-5-12-20-29)35(27-15-7-3-8-16-27)36(28-17-9-4-10-18-28)38(30-21-13-6-14-22-30)40(39)32-24-34(26(2)44)46-42(32)41(31)45-33/h3-24H,1-2H3
InChIKey ORWUKQWXXJQBQL-UHFFFAOYSA-N
Molecular Weight 628.804 g/mol
SMILES c12c3c(cc(s3)C(=O)C)c3c(c1cc(s2)C(=O)C)c(c(c(-c1ccccc1)c3-c1ccccc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-004i-1000009000-d43fc12f7793f88b5b76
Source of Spectrum SO-0-1032-3
Wiley ID 874852