| SpectraBase Spectrum ID |
AZEBem39rsk |
| Name |
Isophorone <4-methylene-> |
| CAS Registry Number |
20548-00-9 |
| 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 |
150.104465070 u |
| Formula |
C10H14O |
| InChI |
InChI=1S/C10H14O/c1-7-5-9(11)6-10(3,4)8(7)2/h5H,2,6H2,1,3-4H3 |
| InChIKey |
MCGQFKNFKWPWAA-UHFFFAOYSA-N |
| Molecular Weight |
150.221 g/mol |
| Number of Peaks |
50 |
| RI1 |
1223 |
| RI2 |
901 |
| SMILES |
C1(CC(C(C(=C1)C)=C)(C)C)=O |
| SPLASH |
splash10-0a4i-8900000000-ed2a1f5271dad90966c1 |
| 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-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- |
| Wiley ID |
LM_FFNSC3_2032 |
