| SpectraBase Spectrum ID |
1LTQIdEFNql |
| Name |
Nerone |
| CAS Registry Number |
41766-71-6 |
| 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 |
194.167065327 u |
| Formula |
C13H22O |
| InChI |
InChI=1S/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3/t11-,12+/m0/s1 |
| InChIKey |
DZSVIVLGBJKQAP-NWDGAFQWSA-N |
| Molecular Weight |
194.318 g/mol |
| Number of Peaks |
50 |
| RI1 |
1440 |
| SMILES |
[C@]1(C(=CC[C@@](C1)(C(C)C)[H])C)(C(CC)=O)[H] |
| SPLASH |
splash10-053u-9100000000-237850b199f0c2f839b1 |
| 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-Propanone, 1-[2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]- |
| Wiley ID |
LM_FFNSC3_2897 |
