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2-Methylthio-1-phenyl-1-propenyl diphenyl phosphate isomer
SpectraBase Compound ID 3Cx5QansHUB
InChI InChI=1S/C22H21O4PS/c1-18(28-2)22(19-12-6-3-7-13-19)26-27(23,24-20-14-8-4-9-15-20)25-21-16-10-5-11-17-21/h3-17H,1-2H3/b22-18-
InChIKey GABYJVNPPCZXNC-PYCFMQQDSA-N
Mol Weight 412.44 g/mol
Molecular Formula C22H21O4PS
Exact Mass 412.089817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VbSOU1UDXF
Name 2-Methylthio-1-phenyl-1-propenyl diphenyl phosphate isomer
CAS Registry Number 90510-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21O4PS
InChI InChI=1S/C22H21O4PS/c1-18(28-2)22(19-12-6-3-7-13-19)26-27(23,24-20-14-8-4-9-15-20)25-21-16-10-5-11-17-21/h3-17H,1-2H3/b22-18-
InChIKey GABYJVNPPCZXNC-PYCFMQQDSA-N
Molecular Weight 412.440 g/mol
SMILES CS\C(=C\(OP(Oc1ccccc1)(Oc1ccccc1)=O)c1ccccc1)C
SPLASH splash10-03dj-0900300000-92ca3b4e204062d9d672
Source of Spectrum AJ-57-113-10
Synonyms (1Z)-2-(methylsulfanyl)-1-phenyl-1-propenyl diphenyl phosphate
Wiley ID 1374406