| SpectraBase Spectrum ID |
CYCKMQIEF0A |
| Name |
Cetonal |
| CAS Registry Number |
65405-84-7 |
| 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 |
208.182715392 u |
| Formula |
C14H24O |
| InChI |
InChI=1S/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey |
MXNVWZZDDFIWHW-UHFFFAOYSA-N |
| Molecular Weight |
208.345 g/mol |
| Number of Peaks |
50 |
| RI1 |
1479 |
| RI2 |
1157 |
| SMILES |
C1CCC(C(=C1C)CCC(C)C=O)(C)C |
| SPLASH |
splash10-002f-9200000000-a1c2e85dd2a18dadecf3 |
| 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 |
Cyclohexenebutanal, alpha,2,2,6-tetramethyl- |
| Wiley ID |
LM_FFNSC3_1176 |
