| SpectraBase Spectrum ID |
KTPBkzZ4kAM |
| Name |
Cyclohepta-2,4,6-trien-1-one <2-hydroxy-4-isopropyl-> |
| CAS Registry Number |
499-44-5 |
| 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)8-4-3-5-9(11)10(12)6-8/h3-5,7H,6H2,1-2H3 |
| InChIKey |
FFNOSJOWAXEJTG-UHFFFAOYSA-N |
| Molecular Weight |
164.204 g/mol |
| Number of Peaks |
50 |
| RI1 |
1502 |
| RI2 |
1179 |
| RI3 |
1652 |
| RI4 |
1688 |
| SMILES |
CC(C)C=1CC(C(=O)C=CC1)=O |
| SPLASH |
splash10-0229-6900000000-4da6681a2f7744395eab |
| 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 |
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)- |
| Wiley ID |
LM_FFNSC3_1945 |
