| SpectraBase Spectrum ID |
BJZxcaog8nL |
| Name |
Isophorone |
| Source of Sample |
SAFC Cat.no. W355305 |
| CAS Registry Number |
78-59-1 |
| 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/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
| InChIKey |
HJOVHMDZYOCNQW-UHFFFAOYSA-N |
| Molecular Weight |
138.210 g/mol |
| Number of Peaks |
50 |
| RI1 |
1123 |
| RI2 |
800 |
| RI3 |
979 |
| RI4 |
934 |
| SMILES |
C1(=O)C=C(C)CC(C)(C)C1 |
| SPLASH |
splash10-001i-9000000000-b82d484a14dc580961a1 |
| 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- |
| Wiley ID |
LM_FFNSC3_617 |
