| SpectraBase Spectrum ID |
4tkyYyykxJJ |
| Name |
Metaldehyde isomer I |
| CAS Registry Number |
108-62-3 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
176.104858991 u |
| Formula |
C8H16O4 |
| InChI |
InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3 |
| InChIKey |
GKKDCARASOJPNG-UHFFFAOYSA-N |
| Molecular Weight |
176.212 g/mol |
| Number of Peaks |
45 |
| RI1 |
995 |
| RI2 |
665 |
| RI3 |
716 |
| RI4 |
671 |
| SMILES |
CC1OC(OC(OC(O1)C)C)C |
| SPLASH |
splash10-0002-9000000000-175a2837c81d7f9109c5 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1,3,5,7-Tetroxocane, 2,4,6,8-tetramethyl |
| Wiley ID |
LM_FFNSC3_3344 |
