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2,2'-((3,3'-(1,4-phenylene)bis(2-cyanoacryloyl))bis(azanediyl))bis(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide)

View entire compound with spectra: 1 MS (GC)

2,2'-((3,3'-(1,4-phenylene)bis(2-cyanoacryloyl))bis(azanediyl))bis(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide)
SpectraBase Compound ID A7qO2iN34e2
InChI InChI=1S/C34H32N6O4S2/c35-17-21(31(43)39-33-27(29(37)41)23-7-3-1-5-9-25(23)45-33)15-19-11-13-20(14-12-19)16-22(18-36)32(44)40-34-28(30(38)42)24-8-4-2-6-10-26(24)46-34/h11-16H,1-10H2,(H2,37,41)(H2,38,42)(H,39,43)(H,40,44)
InChIKey VQTZJZGFEUMENE-UHFFFAOYSA-N
Mol Weight 652.8 g/mol
Molecular Formula C34H32N6O4S2
Exact Mass 652.192646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIbA453RigV
Name 2,2'-((3,3'-(1,4-phenylene)bis(2-cyanoacryloyl))bis(azanediyl))bis(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide)
Appearance Orange powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32N6O4S2
InChI InChI=1S/C34H32N6O4S2/c35-17-21(31(43)39-33-27(29(37)41)23-7-3-1-5-9-25(23)45-33)15-19-11-13-20(14-12-19)16-22(18-36)32(44)40-34-28(30(38)42)24-8-4-2-6-10-26(24)46-34/h11-16H,1-10H2,(H2,37,41)(H2,38,42)(H,39,43)(H,40,44)
InChIKey VQTZJZGFEUMENE-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4085
Molecular Weight 652.788 g/mol
SMILES NC(c1c2CCCCCc2sc1NC(C(=Cc1ccc(C=C(C(Nc2c(C(N)=O)c3c(s2)CCCCC3)=O)C#N)cc1)C#N)=O)=O
SPLASH splash10-00di-0009000000-29d8c158e2b6e8749d36
Source of Spectrum Y-57-3670-16
Wiley ID 1859854