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2,4-Pentadienal, 5-(1,3-dithian-2-yl)-, (E,Z)-

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2,4-Pentadienal, 5-(1,3-dithian-2-yl)-, (E,Z)-
SpectraBase Compound ID 1IX79CCKTWS
InChI InChI=1S/C9H12OS2/c10-6-3-1-2-5-9-11-7-4-8-12-9/h1-3,5-6,9H,4,7-8H2/b3-1-,5-2+
InChIKey CJSOILRRBIKOMF-CRZUQTJNSA-N
Mol Weight 200.31 g/mol
Molecular Formula C9H12OS2
Exact Mass 200.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47fWrlu4N6C
Name 2,4-Pentadienal, 5-(1,3-dithian-2-yl)-, (E,Z)-
Alternate Name(s) (2Z,4E)-5-(1,3-dithian-2-yl)-2,4-pentadienal (2Z,4E)-5-(1,3-dithian-2-yl)penta-2,4-dienal
CAS Registry Number 121742-61-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12OS2
InChI InChI=1S/C9H12OS2/c10-6-3-1-2-5-9-11-7-4-8-12-9/h1-3,5-6,9H,4,7-8H2/b3-1-,5-2+
InChIKey CJSOILRRBIKOMF-CRZUQTJNSA-N
Molecular Weight 200.314 g/mol
SMILES C1(SCCCS1)\C=C\C=C/C=O
SPLASH splash10-00kb-7920000000-4f44aa309cfd013e82d8
Source of Spectrum KC-1989-688-3
Wiley ID 1197226