SpectraBase Spectrum ID |
6NiHidFW7W0 |
Name |
Isocinchomeronic acid dipropyl ester |
Source of Sample |
Sigma-Aldrich Cat. #36169 |
CAS Registry Number |
136-45-8 |
Classification |
Pesticides: Repellents |
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 |
251.115758027 u |
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 |
Molecular Weight |
251.282 g/mol |
Number of Peaks |
47 |
RI1 |
1893 |
SMILES |
c1cc(C(=O)OCCC)cnc1C(=O)OCCC |
SPLASH |
splash10-014i-2900000000-db5e789768e3108ef78e |
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 |
2,5-Pyridinedicarboxylic acid, 2,5-dipropyl ester |
Wiley ID |
LM_PEST_792 |