| SpectraBase Spectrum ID |
8NjZl6qws7A |
| Name |
4H-1-Benzopyran-4-one, 2-[1-methyl-2-(3-methyloxiranyl)-2-oxoethyl]-, [2.alpha.(S*),3.beta.]-(.+-.)- |
| CAS Registry Number |
86649-01-6 |
| Comments |
Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1261821 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14O4 |
| InChI |
InChI=1S/C15H14O4/c1-8(14(17)15-9(2)18-15)13-7-11(16)10-5-3-4-6-12(10)19-13/h3-9,15H,1-2H3/t8?,9-,15+/m1/s1 |
| InChIKey |
WQVCKBDIINSFIT-QWTSGDGFSA-N |
| Molecular Weight |
258.273 g/mol |
| SMILES |
[C@]1(O[C@@]1(C)[H])(C(C(C1=CC(=O)c2c(O1)cccc2)C)=O)[H] |
| SPLASH |
splash10-00dl-2920000000-9fe0597ff961e07fe23b |
| Source of Spectrum |
H-66-599-0 |
| Synonyms |
(1R)-1,2-anhydro-4,5-dideoxy-1-methyl-4-(4-oxo-4H-chromen-2-yl)-D-glycero-pent-3-ulose
2-[(3RS,4SR)-3,4-epoxy-1-methyl-2-oxopentyl]chromone |
| Wiley ID |
1821420 |
![4H-1-Benzopyran-4-one, 2-[1-methyl-2-(3-methyloxiranyl)-2-oxoethyl]-, [2.alpha.(S*),3.beta.]-(.+-.)-](/api/spectrum/8NjZl6qws7A/structure.png?h=300&w=458 "4H-1-Benzopyran-4-one, 2-[1-methyl-2-(3-methyloxiranyl)-2-oxoethyl]-, [2.alpha.(S*),3.beta.]-(.+-.)-")
