| SpectraBase Spectrum ID |
7R8O367fYP |
| Name |
Heptanoic acid <2-methyl-> |
| Source of Sample |
SAFC Cat.no. W270601 |
| CAS Registry Number |
1188-02-9 |
| 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 |
144.115029753 u |
| Formula |
C8H16O2 |
| InChI |
InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
| InChIKey |
NKBWMBRPILTCRD-UHFFFAOYSA-N |
| Molecular Weight |
144.214 g/mol |
| Number of Peaks |
46 |
| RI1 |
1165 |
| RI2 |
843 |
| RI5 |
1130 |
| SMILES |
OC(C(CCCCC)C)=O |
| SPLASH |
splash10-00di-9000000000-71c53deef63abadbc678 |
| 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 |
Heptanoic acid, 2-methyl- |
| Wiley ID |
LM_FFNSC3_721 |
