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4-(1',3'-Benzodithiol-2'-ylidene)-but-2-enal
SpectraBase Compound ID IADD9aDxLew
InChI InChI=1S/C11H8OS2/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-8H/b4-3+
InChIKey NPCVGPXORYSAAI-ONEGZZNKSA-N
Mol Weight 220.3 g/mol
Molecular Formula C11H8OS2
Exact Mass 220.001657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OVYjIH0Fui
Name 4-(1',3'-Benzodithiol-2'-ylidene)-but-2-enal
Alternate Name(s) (2E)-4-(1,3-benzodithiol-2-ylidene)-2-butenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8OS2
InChI InChI=1S/C11H8OS2/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-8H/b4-3+
InChIKey NPCVGPXORYSAAI-ONEGZZNKSA-N
Molecular Weight 220.304 g/mol
SMILES C1(Sc2ccccc2S1)=C\C=C\C=O
SPLASH splash10-014i-0930000000-df0e0be12683a1b55a1b
Source of Spectrum H-86-2606-8
Wiley ID 1525569