| SpectraBase Spectrum ID |
8FsSFa1XNDs |
| Name |
Auraptenol |
| CAS Registry Number |
51559-35-4 |
| Classification |
Plant ingredient, natural coumarin |
| 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/h4-7,12,16H,1,8H2,2-3H3 |
| InChIKey |
SQSRYWNOKPJENY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
260.289 g/mol |
| Nominal Mass |
260 u |
| Quality |
914 |
| Retention Index |
1914 |
| SMILES |
OC(CC1=C2C(=CC=C1OC)C=CC(O2)=O)C(=C)C |
| SPLASH |
splash10-0006-2900000000-548948dbdf5d3b1a5232 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
8-(2-Hydroxy-3-methyl-3-buten-1-yl)-7-methoxy-2H-chromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027591 |
