| SpectraBase Spectrum ID |
D5TDemkMGLY |
| Name |
2-Ethyl-1,3-hexanediol isomer II |
| Source of Sample |
Sigma-Aldrich Cat. #E29125 |
| CAS Registry Number |
4780-68-1 |
| 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 |
146.130679818 u |
| Formula |
C8H18O2 |
| InChI |
InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3/t7-,8+/m1/s1 |
| InChIKey |
RWLALWYNXFYRGW-SFYZADRCSA-N |
| Molecular Weight |
146.230 g/mol |
| Number of Peaks |
86 |
| RI1 |
1225 |
| SMILES |
O[C@]([C@@](CO)(CC)[H])(CCC)[H] |
| SPLASH |
splash10-0a4i-9000000000-37196ad396f507dfb2ca |
| 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 |
1,3-Hexanediol, 2-ethyl-, (2R,3S)-rel- |
| Wiley ID |
LM_PEST_452 |
