| SpectraBase Spectrum ID |
2T0yjt5U86q |
| Name |
Heptan-3-one <2-methyl-> |
| Source of Sample |
SAFC Cat.no. W400009 |
| CAS Registry Number |
13019-20-0 |
| 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/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey |
XYYMFUCZDNNGFS-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| Number of Peaks |
50 |
| RI1 |
934 |
| RI2 |
612 |
| RI3 |
586 |
| RI4 |
521 |
| SMILES |
CC(C(CCCC)=O)C |
| SPLASH |
splash10-052o-9000000000-67de11f0f7da999b6bde |
| 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, 2-methyl- |
| Wiley ID |
LM_FFNSC3_337 |
