| SpectraBase Spectrum ID |
DoqqzB7by3k |
| Name |
Valeric acid |
| CAS Registry Number |
109-52-4 |
| Classification |
Educt for fragrances |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
102.068079560 u |
| Formula |
C5H10O2 |
| InChI |
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) |
| InChIKey |
NQPDZGIKBAWPEJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
102.133 g/mol |
| Nominal Mass |
102 u |
| Quality |
986 |
| Retention Index |
901 |
| SMILES |
OC(CCCC)=O |
| SPLASH |
splash10-03di-9000000000-237f55cf71464305dbe8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
n-Valeric acid
Pentanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011640 |
