| SpectraBase Spectrum ID |
KPgCVWgIqDd |
| Name |
Methyl lavender ketone |
| CAS Registry Number |
67801-33-6 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| InChI |
InChI=1S/C10H20O2/c1-3-4-5-6-7-10(8-11)9(2)12/h10-11H,3-8H2,1-2H3 |
| InChIKey |
DIZUHEORFPDTIQ-UHFFFAOYSA-N |
| Molecular Weight |
172.268 g/mol |
| Number of Peaks |
50 |
| RI1 |
1089 |
| RI2 |
763 |
| SMILES |
OCC(C(C)=O)CCCCCC |
| SPLASH |
splash10-0abc-9100000000-b1b4dd1e0796fdfbc497 |
| 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 |
2-Nonanone, 3-(hydroxymethyl)- |
| Wiley ID |
LM_FFNSC3_1356 |
