| SpectraBase Spectrum ID |
JI5zzPJ7E4u |
| Name |
Xanthyletin |
| CAS Registry Number |
553-19-5 |
| Classification |
Phytoalexin of citrus |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
228.078644243 u |
| Formula |
C14H12O3 |
| InChI |
InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3 |
| InChIKey |
QOTBQNVNUBKJMS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
228.247 g/mol |
| Nominal Mass |
228 u |
| Quality |
939 |
| Retention Index |
1737 |
| SMILES |
C=12C(OC(C=C2)(C)C)=CC2=C(C1)C=CC(O2)=O |
| SPLASH |
splash10-03di-2490000000-8c45b451838b4b0dafd5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,2-Dimethylchromenocoumarin
8,8-Dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013347 |
