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Acetic acid, [[(diethylamino)thioxomethyl]thio](triphenylphosphorany lidene)-, methyl ester
SpectraBase Compound ID 4DkQ5MvD1fD
InChI InChI=1S/C26H28NO2PS2/c1-4-27(5-2)26(31)32-25(24(28)29-3)30(21-15-9-6-10-16-21,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h6-20H,4-5H2,1-3H3
InChIKey MXUOPKZLEYTAPD-UHFFFAOYSA-N
Mol Weight 481.61 g/mol
Molecular Formula C26H28NO2PS2
Exact Mass 481.129908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVCsnVVako6
Name Acetic acid, [[(diethylamino)thioxomethyl]thio](triphenylphosphorany lidene)-, methyl ester
Alternate Name(s) Methyl {[(diethylamino)carbothioyl]sulfanyl}(triphenylphosphoranylidene)acetate
CAS Registry Number 110637-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28NO2PS2
InChI InChI=1S/C26H28NO2PS2/c1-4-27(5-2)26(31)32-25(24(28)29-3)30(21-15-9-6-10-16-21,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h6-20H,4-5H2,1-3H3
InChIKey MXUOPKZLEYTAPD-UHFFFAOYSA-N
Molecular Weight 481.609 g/mol
SMILES C(SC(=S)N(CC)CC)(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC
SPLASH splash10-02t9-5629100000-7b895d3a4e646b6273b0
Source of Spectrum J-52-5355-8
Wiley ID 1395399