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1,3-Bis(t-Butylthio)-4,6-bis[cyano(ethoxycarbonyl)methylene]benzene
SpectraBase Compound ID AjgV4tqv7S6
InChI InChI=1S/C26H32N2O4S2/c1-9-31-23(29)19(15-27)12-17-11-18(13-20(16-28)24(30)32-10-2)22(34-26(6,7)8)14-21(17)33-25(3,4)5/h11-14H,9-10H2,1-8H3/b19-12+,20-13+
InChIKey XCZFVANZZKNSSC-KVOOEGMKSA-N
Mol Weight 500.7 g/mol
Molecular Formula C26H32N2O4S2
Exact Mass 500.18035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eud1TIJcWOz
Name 1,3-Bis(t-Butylthio)-4,6-bis[cyano(ethoxycarbonyl)methylene]benzene
Alternate Name(s) Ethyl (2E)-3-{2,4-bis(tert-butylsulfanyl)-5-[(1E)-2-cyano-3-ethoxy-3-oxo-1-propenyl]phenyl}-2-cyano-2-propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2O4S2
InChI InChI=1S/C26H32N2O4S2/c1-9-31-23(29)19(15-27)12-17-11-18(13-20(16-28)24(30)32-10-2)22(34-26(6,7)8)14-21(17)33-25(3,4)5/h11-14H,9-10H2,1-8H3/b19-12+,20-13+
InChIKey XCZFVANZZKNSSC-KVOOEGMKSA-N
Molecular Weight 500.672 g/mol
SMILES c1(\C=C\(C(=O)OCC)C#N)c(cc(c(\C=C\(C(=O)OCC)C#N)c1)SC(C)(C)C)SC(C)(C)C
SPLASH splash10-014i-0039010000-118ee8cea44858ead4a8
Source of Spectrum SO-1978-59-4
Wiley ID 1537121