| SpectraBase Spectrum ID |
8J935v0zzUG |
| Name |
Methoxsalen |
| CAS Registry Number |
298-81-7 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
216.042258734 u |
| Formula |
C12H8O4 |
| InChI |
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 |
| InChIKey |
QXKHYNVANLEOEG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
216.192 g/mol |
| Nominal Mass |
216 u |
| Quality |
883 |
| Retention Index |
2233 |
| SMILES |
C12=C(C3=C(C=C2C=CC(O1)=O)C=CO3)OC |
| SPLASH |
splash10-01b9-9870000000-0ebb6902e069751dd0fa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
9-methoxy-7H-furo[3,2-g]chromen-7-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004486 |
