| SpectraBase Spectrum ID |
GtxdQVpuBkC |
| Name |
Heptanone <5-methyl-3-> |
| CAS Registry Number |
541-85-5 |
| 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 |
128.120115134 u |
| Formula |
C8H16O |
| InChI |
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3 |
| InChIKey |
PSBKJPTZCVYXSD-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| Number of Peaks |
50 |
| RI1 |
938 |
| RI2 |
615 |
| SMILES |
CC(CC(CC)=O)CC |
| SPLASH |
splash10-05fu-9000000000-a61e40947ed42064d67a |
| 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-Heptanone, 5-methyl- |
| Wiley ID |
LM_FFNSC3_2039 |
