| SpectraBase Spectrum ID |
I8oDssHbItI |
| Name |
Isocitral |
| CAS Registry Number |
55050-40-3 |
| 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 |
152.120115134 u |
| Formula |
C10H16O |
| InChI |
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,8H,3-4,6-7H2,1-2H3 |
| InChIKey |
ODULZPPCXSTHDT-UHFFFAOYSA-N |
| Molecular Weight |
152.237 g/mol |
| Number of Peaks |
35 |
| RI1 |
1144 |
| SMILES |
C(=O)CC(=C)CCC=C(C)C |
| SPLASH |
splash10-00kf-9000000000-f85e500bbceae2ad6dce |
| 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 |
6-Octenal, 7-methyl-3-methylene- |
| Wiley ID |
LM_FFNSC3_2923 |
