| SpectraBase Spectrum ID |
3LFl1hC0DpZ |
| Name |
1,4-dihydroxy-2-(2'-methylprop-2'-enyl)-3-(prop-2''-enyl)anthraquinone |
| Alternate Name(s) |
1,4-Dihydroxy-2-(2'-methylprop-2'-enyl)-3-(prop-2''-enyl)anthraquinone
2-allyl-1,4-dihydroxy-3-(2-methyl-2-propenyl)anthra-9,10-quinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H18O4 |
| InChI |
InChI=1S/C21H18O4/c1-4-7-12-15(10-11(2)3)21(25)17-16(18(12)22)19(23)13-8-5-6-9-14(13)20(17)24/h4-6,8-9,22,25H,1-2,7,10H2,3H3 |
| InChIKey |
HJBKEBCFPXRLIJ-UHFFFAOYSA-N |
| Molecular Weight |
334.371 g/mol |
| SMILES |
Oc1c2c(c(c(c1CC=C)CC(=C)C)O)C(c1c(C2=O)cccc1)=O |
| SPLASH |
splash10-053r-0009000000-5a5a14bce7a9057700e0 |
| Source of Spectrum |
B-47-1321-0 |
| Wiley ID |
1331203 |
