| SpectraBase Spectrum ID |
DekLBWO1E5W |
| Name |
Clonex |
| Source of Sample |
Sigma-Aldrich Cat. #45532 |
| CAS Registry Number |
133-32-4 |
| Classification |
Pesticides: Plant growth regulators |
| 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 |
203.094628661 u |
| Formula |
C12H13NO2 |
| InChI |
InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) |
| InChIKey |
JTEDVYBZBROSJT-UHFFFAOYSA-N |
| Molecular Weight |
203.241 g/mol |
| Number of Peaks |
48 |
| RI1 |
2066 |
| SMILES |
[nH]1c2c(c(CCCC(=O)O)c1)cccc2 |
| SPLASH |
splash10-001i-1910000000-26ee6e4ce5da651a5d45 |
| 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 |
1H-Indole-3-butanoic acid |
| Wiley ID |
LM_PEST_487 |
