| SpectraBase Spectrum ID |
7tcBDNiPlYT |
| Name |
Elsholtzia ketone |
| CAS Registry Number |
78173-38-3 |
| 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 |
164.083729624 u |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c1-7(2)6-9(11)10-8(3)4-5-12-10/h4-5H,1,6H2,2-3H3 |
| InChIKey |
VPZAKGCTDBKUJX-UHFFFAOYSA-N |
| Molecular Weight |
164.204 g/mol |
| Number of Peaks |
39 |
| RI1 |
1219 |
| RI2 |
995 |
| SMILES |
c1(C(CC(=C)C)=O)c(cco1)C |
| SPLASH |
splash10-0a4i-2900000000-f00fd9e1f66966df1c06 |
| 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-Buten-1-one, 3-methyl-1-(3-methyl-2-furanyl)- |
| Wiley ID |
LM_FFNSC3_2515 |
