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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 B1ZJ7NWevgK
Name Crotoxyphos isomer I
Source of Sample Supelco Cat. #PS603
CAS Registry Number 7700-17-6
Classification Pesticides: Acaricides, Insecticides
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
Number of Peaks 169
RI1 2063
SMILES c1ccc(cc1)C(C)OC(\C=C/(C)OP(=O)(OC)OC)=O
SPLASH splash10-004i-3900000000-ad1a1f1dfb07775c0ccc
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, 1-phenylethyl ester, (2E)-
Wiley ID LM_PEST_869