| SpectraBase Spectrum ID |
2oSxqwn82zY |
| Name |
Patulin |
| CAS Registry Number |
149-29-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
154.026608669 u |
| Formula |
C7H6O4 |
| InChI |
InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2 |
| InChIKey |
ZRWPUFFVAOMMNM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
154.121 g/mol |
| Nominal Mass |
154 u |
| Quality |
895 |
| Retention Index |
1142 |
| SMILES |
OC1C=2C(OC(C2)=O)=CCO1 |
| SPLASH |
splash10-114i-9600000000-5bffe16776cee5161169 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Hydroxy-3,7-dioxabicyclo[4.3.0]nona-5,9-dien-8-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003492 |
