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(.+/-.)-Indoxacarb
SpectraBase Compound ID IwoAIhIC4Dk
InChI InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
InChIKey VBCVPMMZEGZULK-NRFANRHFSA-N
Mol Weight 527.84 g/mol
Molecular Formula C22H17ClF3N3O7
Exact Mass 527.070712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNPpagpKd95
Name (.+/-.)-Indoxacarb
Source of Sample Sigma-Aldrich Cat. #33969
CAS Registry Number 144171-61-9
Classification Pesticides: 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 527.070712081 u
Formula C22H17ClF3N3O7
InChI InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
InChIKey VBCVPMMZEGZULK-NRFANRHFSA-N
Molecular Weight 527.840 g/mol
Number of Peaks 50
RI1 3042
SMILES [C@@]12(C(c3ccc(cc3C2)Cl)=NN(CO1)C(N(c1ccc(cc1)OC(F)(F)F)C(OC)=O)=O)C(OC)=O
SPLASH splash10-0pb9-5980000000-a528b0ebe97f3ebf3087
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 Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester
Wiley ID LM_PEST_393