| SpectraBase Spectrum ID |
2pH5fgndXH6 |
| Name |
Osthole |
| CAS Registry Number |
484-12-8 |
| Classification |
Calcium channel blocker |
| 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 |
244.109944372 u |
| Formula |
C15H16O3 |
| InChI |
InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 |
| InChIKey |
MBRLOUHOWLUMFF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
244.290 g/mol |
| Nominal Mass |
244 u |
| Quality |
900 |
| Retention Index |
1808 |
| SMILES |
C12=C(C(=CC=C2C=CC(O1)=O)OC)CC=C(C)C |
| SPLASH |
splash10-0f9l-3960000000-0f03aeca719657d68032 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-Methoxy-8-(3-methyl-2-butenyl)coumarin
7-Methoxy-8-(3-methylbut-2-enyl)chromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004429 |
