| SpectraBase Spectrum ID |
86eAUo61U24 |
| Name |
Sabina ketone |
| CAS Registry Number |
513-20-2 |
| 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 |
138.104465070 u |
| Formula |
C9H14O |
| InChI |
InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3 |
| InChIKey |
MDDYCNAAAZKNAJ-UHFFFAOYSA-N |
| Molecular Weight |
138.210 g/mol |
| Number of Peaks |
50 |
| RI1 |
1157 |
| RI2 |
834 |
| SMILES |
C12(C(C(CC2)=O)C1)C(C)C |
| SPLASH |
splash10-0002-9000000000-1eff28d6d33f61dab179 |
| 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 |
Bicyclo[3.1.0]hexan-2-one, 5-(1-methylethyl)- |
| Wiley ID |
LM_FFNSC3_1463 |
