| SpectraBase Spectrum ID |
Bkh61Frr95G |
| Name |
Acetylvaleryl |
| Source of Sample |
SAFC Cat.no. W254304 |
| CAS Registry Number |
96-04-8 |
| 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 |
128.083729624 u |
| Formula |
C7H12O2 |
| InChI |
InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3 |
| InChIKey |
FJPGAMCQJNLTJC-UHFFFAOYSA-N |
| Molecular Weight |
128.171 g/mol |
| Number of Peaks |
50 |
| RI1 |
885 |
| RI2 |
549 |
| RI3 |
631 |
| RI4 |
585 |
| SMILES |
CC(C(CCCC)=O)=O |
| SPLASH |
splash10-052f-9000000000-d8856ac654f5588e5898 |
| 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 |
2,3-Heptanedione |
| Wiley ID |
LM_FFNSC3_535 |
