| SpectraBase Spectrum ID |
2Tq8stC0nn5 |
| Name |
Heptanoic acid |
| Source of Sample |
SAFC Cat.no. W334812 |
| CAS Registry Number |
111-14-8 |
| 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 |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChIKey |
MNWFXJYAOYHMED-UHFFFAOYSA-N |
| Molecular Weight |
130.187 g/mol |
| Number of Peaks |
50 |
| RI1 |
1116 |
| RI2 |
792 |
| RI3 |
1391 |
| RI4 |
1353 |
| RI5 |
1152 |
| SMILES |
OC(CCCCCC)=O |
| SPLASH |
splash10-03kc-9000000000-8939df8c7b3028cac76b |
| 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 |
| Wiley ID |
LM_FFNSC3_344 |
