| SpectraBase Spectrum ID |
FfKk3iV9TDr |
| Name |
Plicatone isomer II |
| CAS Registry Number |
41724-19-0 |
| 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 |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-7-4-10-8-2-3-9(5-8)11(10)6-12(7)13/h7-11H,2-6H2,1H3 |
| InChIKey |
VWFXPROOUAWFEE-UHFFFAOYSA-N |
| Molecular Weight |
178.275 g/mol |
| Number of Peaks |
50 |
| RI1 |
1493 |
| RI2 |
1172 |
| RI3 |
1345 |
| RI4 |
1306 |
| RI5 |
1456 |
| SMILES |
CC1C(CC2C3CCC(C2C1)C3)=O |
| SPLASH |
splash10-0fvu-9700000000-e426d2d48fedd9438ac5 |
| 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 |
1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- |
| Wiley ID |
LM_FFNSC3_3225 |
