| SpectraBase Spectrum ID |
AUWlxdjoa6M |
| Name |
2-Allyl-3-bromo-5-hydroxy-1,4-naphthoquinone |
| Alternate Name(s) |
2-allyl-3-bromo-5-hydroxy-naphthalene-1,4-dione
3-bromanyl-5-oxidanyl-2-prop-2-enyl-naphthalene-1,4-dione
3-bromo-5-hydroxy-2-prop-2-enylnaphthalene-1,4-dione |
| CAS Registry Number |
85883-42-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H9BrO3 |
| InChI |
InChI=1S/C13H9BrO3/c1-2-4-8-11(14)13(17)10-7(12(8)16)5-3-6-9(10)15/h2-3,5-6,15H,1,4H2 |
| InChIKey |
LTYABIXPRYTDDG-UHFFFAOYSA-N |
| Molecular Weight |
293.116 g/mol |
| SMILES |
Oc1c2c(C(C(=C(C2=O)Br)CC=C)=O)ccc1 |
| SPLASH |
splash10-03di-0090000000-bdd9f1c78360b010969f |
| Source of Spectrum |
J-48-2312-0 |
| Wiley ID |
1295028 |
