| SpectraBase Spectrum ID |
ClN3rX3jDBq |
| Name |
Isoauraptene |
| CAS Registry Number |
1088-17-1 |
| Classification |
Fragrance, flavor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
260.104858991 u |
| Formula |
C15H16O4 |
| InChI |
InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,9H,8H2,1-3H3 |
| InChIKey |
OMOYQLRHKFGVGN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
260.289 g/mol |
| Nominal Mass |
260 u |
| Quality |
837 |
| Retention Index |
1907 |
| SMILES |
C12=C(C(=CC=C2C=CC(O1)=O)OC)CC(C(C)C)=O |
| SPLASH |
splash10-0006-5900000000-bf350d901063d4d4f038 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Isomeranzin
7-Methoxy-8-(3-methyl-2-oxobutyl)-2H-chromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026397 |
