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4H-1-Benzothiopyran-4-one, 3-[(2-chloro-1-hexenyl)thio]-, (E)-
SpectraBase Compound ID LXam4ghZlvm
InChI InChI=1S/C15H15ClOS2/c1-2-3-6-11(16)9-18-14-10-19-13-8-5-4-7-12(13)15(14)17/h4-5,7-10H,2-3,6H2,1H3/b11-9+
InChIKey SZTWDGBTYLTCNI-PKNBQFBNSA-N
Mol Weight 310.86 g/mol
Molecular Formula C15H15ClOS2
Exact Mass 310.025285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iy0POXZTMvc
Name 4H-1-Benzothiopyran-4-one, 3-[(2-chloro-1-hexenyl)thio]-, (E)-
Alternate Name(s) 3-{[(1E)-2-chloro-1-hexenyl]sulfanyl}-4H-1-benzothiopyran-4-one E-3-(2'-chloro-1'-hexenylthio)thiochromone
CAS Registry Number 121926-50-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15ClOS2
InChI InChI=1S/C15H15ClOS2/c1-2-3-6-11(16)9-18-14-10-19-13-8-5-4-7-12(13)15(14)17/h4-5,7-10H,2-3,6H2,1H3/b11-9+
InChIKey SZTWDGBTYLTCNI-PKNBQFBNSA-N
Molecular Weight 310.857 g/mol
SMILES C1(C(=CSc2c1cccc2)S\C=C/(Cl)CCCC)=O
SPLASH splash10-004l-2951000000-77ae98df407a97ca40c1
Source of Spectrum I-67-378-12
Wiley ID 1311241