| SpectraBase Spectrum ID |
LE0TxLeMkuI |
| Name |
Valeric acid |
| Source of Sample |
SAFC Cat.no. W275409 |
| CAS Registry Number |
97-61-0 |
| 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey |
OVBFMEVBMNZIBR-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Number of Peaks |
33 |
| RI1 |
978 |
| RI2 |
651 |
| SMILES |
OC(C(CCC)C)=O |
| SPLASH |
splash10-00dl-9000000000-4e8f8e911c08652ee22b |
| 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 |
Pentanoic acid, 2-methyl- |
| Wiley ID |
LM_FFNSC3_474 |
