| SpectraBase Spectrum ID |
Ajllz4Xt0M3 |
| Name |
Hept-(3Z)-en-2-one <3,4,5,6,6-pentamethyl-> |
| CAS Registry Number |
81786-73-4 |
| 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 |
182.167065327 u |
| Formula |
C12H22O |
| InChI |
InChI=1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8- |
| InChIKey |
IXIYWQIFBRZMNR-HJWRWDBZSA-N |
| Molecular Weight |
182.307 g/mol |
| Number of Peaks |
50 |
| RI1 |
1213 |
| RI2 |
891 |
| RI3 |
897 |
| RI4 |
852 |
| SMILES |
C(\C(=C/(C(=O)C)C)C)(C)C(C)(C)C |
| SPLASH |
splash10-0536-9200000000-f229b86372489442c041 |
| 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 |
3-Hepten-2-one, 3,4,5,6,6-pentamethyl-, (3Z)- |
| Wiley ID |
LM_FFNSC3_1298 |
