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CROTOXYPHOS
SpectraBase Compound ID 2XrK9b55rjl
InChI InChI=1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+
InChIKey XXXSILNSXNPGKG-ZHACJKMWSA-N
Mol Weight 314.27 g/mol
Molecular Formula C14H19O6P
Exact Mass 314.091925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sMlzdp5vGO
Name CROTOXYPHOS
CAS Registry Number 7700-17-6
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 314.091925324 u
Formula C14H19O6P
InChI InChI=1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+
InChIKey XXXSILNSXNPGKG-ZHACJKMWSA-N
Molecular Weight 314.274 g/mol
Nominal Mass 314 u
Number of Peaks 77
SMILES c1ccc(cc1)C(C)OC(\C=C/(C)OP(=O)(OC)OC)=O
SPLASH splash10-056r-1900000000-67fee48b15c016fdc4d8
Source of Spectrum Dr. Rolf Kuehnle
Synonyms 1-phenylethyl (2E)-3-[(dimethoxyphosphoryl)oxy]-2-butenoate 1-phenylethyl 3-[(dimethoxyphosphoryl)oxy]-2-butenoate
Technique GC/MS
Wiley ID WID_MSPA_3662