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Isocinchomeronic acid dipropyl ester
SpectraBase Compound ID zmj4OwTenR
InChI InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey IITCWRFYJWUUPC-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2m1IZmqK2CK
Name Isocinchomeronic acid dipropyl ester
Source of Sample Sigma-Aldrich Cat. #36169
CAS Registry Number 136-45-8
Classification Pesticides: Repellents
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey IITCWRFYJWUUPC-UHFFFAOYSA-N
Number of Peaks 47
RI1 1893
SMILES c1cc(C(=O)OCCC)cnc1C(=O)OCCC
SPLASH splash10-014i-2900000000-db5e789768e3108ef78e
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2,5-Pyridinedicarboxylic acid, 2,5-dipropyl ester
Wiley ID LM_PEST_792