| SpectraBase Spectrum ID |
9WOTEYvm9mE |
| Name |
Ligustral |
| Source of Sample |
SAFC Cat.no. W513806 |
| CAS Registry Number |
68039-49-6 |
| 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 |
138.104465070 u |
| Formula |
C9H14O |
| InChI |
InChI=1S/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3 |
| InChIKey |
MZZRKEIUNOYYDF-UHFFFAOYSA-N |
| Molecular Weight |
138.210 g/mol |
| Number of Peaks |
50 |
| RI1 |
1111 |
| RI2 |
787 |
| RI3 |
890 |
| RI4 |
847 |
| SMILES |
C1=C(CCC(C1C)C=O)C |
| SPLASH |
splash10-0aou-9300000000-e79181bc83eb0f211eea |
| 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 |
3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- |
| Wiley ID |
LM_FFNSC3_935 |
