| SpectraBase Spectrum ID |
6Jp0e1tQcsx |
| Name |
2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate natural |
| Source of Sample |
Penta Manifacturing |
| CAS Registry Number |
114099-96-6 |
| 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 |
198.089208927 u |
| Formula |
C10H14O4 |
| InChI |
InChI=1S/C10H14O4/c1-4-5-8(11)14-10-7(3)13-6(2)9(10)12/h6H,4-5H2,1-3H3 |
| InChIKey |
JOLGAERKCZYHLF-UHFFFAOYSA-N |
| Molecular Weight |
198.218 g/mol |
| Number of Peaks |
50 |
| RI1 |
1407 |
| RI2 |
1091 |
| RI3 |
1488 |
| RI4 |
1449 |
| SMILES |
C(CCC)(=O)OC1=C(OC(C1=O)C)C |
| SPLASH |
splash10-0006-9200000000-e0b27b60f9bc6c5d3fdf |
| 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 |
Butanoic acid, 4,5-dihydro-2,5-dimethyl-4-oxo-3-furanyl ester |
| Wiley ID |
LM_FFNSC3_2996 |
