| SpectraBase Spectrum ID |
EJXJPAdtsPo |
| Name |
Propan-2-one <1-[4-(1,1-dimethylethyl)phenyl]-> |
| CAS Registry Number |
81561-77-5 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
190.135765199 u |
| Formula |
C13H18O |
| InChI |
InChI=1S/C13H18O/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey |
HSNJERRVXUNQLS-UHFFFAOYSA-N |
| Molecular Weight |
190.286 g/mol |
| Number of Peaks |
40 |
| RI1 |
1444 |
| RI2 |
1122 |
| SMILES |
c1(ccc(cc1)CC(C)=O)C(C)(C)C |
| SPLASH |
splash10-000y-3900000000-0bf8f25d495c1f14e5bc |
| 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-Propanone, 1-[4-(1,1-dimethylethyl)phenyl]- |
| Wiley ID |
LM_FFNSC3_1781 |
