| SpectraBase Spectrum ID |
46atwrxbhec |
| Name |
Dehydracetic acid |
| CAS Registry Number |
520-45-6 |
| Classification |
Fungicide |
| 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 |
168.042258734 u |
| Formula |
C8H8O4 |
| InChI |
InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3 |
| InChIKey |
PGRHXDWITVMQBC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
168.148 g/mol |
| Nominal Mass |
168 u |
| Quality |
992 |
| Retention Index |
1201 |
| SMILES |
C1(C(C(OC(=C1)C)=O)C(=O)C)=O |
| SPLASH |
splash10-00ko-9400000000-790a2a7f86f34f6926ca |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dehydroacetic acid
3-Acetyl-6-methyl-2,4-pyrandione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000046 |
