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Diethyl (1,3-dithiepan-2-ylidene)(5-phenylisoxazol-3-yl)methylphosphonate
SpectraBase Compound ID CJdQ82ng4Mc
InChI InChI=1S/C19H24NO4PS2/c1-3-22-25(21,23-4-2)18(19-26-12-8-9-13-27-19)16-14-17(24-20-16)15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3
InChIKey VVIWKUCSWGJZSH-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C19H24NO4PS2
Exact Mass 425.088438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID a3ATZk7yy
Name Diethyl (1,3-dithiepan-2-ylidene)(5-phenylisoxazol-3-yl)methylphosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24NO4PS2
InChI InChI=1S/C19H24NO4PS2/c1-3-22-25(21,23-4-2)18(19-26-12-8-9-13-27-19)16-14-17(24-20-16)15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3
InChIKey VVIWKUCSWGJZSH-UHFFFAOYSA-N
Molecular Weight 425.498 g/mol
SMILES C(P(OCC)(=O)OCC)(c1cc(on1)-c1ccccc1)=C1SCCCCS1
SPLASH splash10-000i-0159000000-8262d131398c8fdb1aa5
Source of Spectrum JF-334-433-6a
Synonyms Diethyl ((1,3-dithiepan-2-ylidene)(5-phenylisoxazol-3-yl)methyl)phosphonate
Wiley ID 1791848