| SpectraBase Spectrum ID |
2d9T1dBZGOH |
| Name |
2-(2'-chloroprop-2'-enyl)-1,4-dihydroxy-3-(prop-1''-enyl)anthraquinone |
| Alternate Name(s) |
2-(2'-Chloroprop-2'-enyl)-1,4-dihydroxy-3-(prop-1''-enyl)anthraquinone
2-(2-chloro-2-propenyl)-1,4-dihydroxy-3-[(1E)-1-propenyl]anthra-9,10-quinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H15ClO4 |
| InChI |
InChI=1S/C20H15ClO4/c1-3-6-11-14(9-10(2)21)20(25)16-15(17(11)22)18(23)12-7-4-5-8-13(12)19(16)24/h3-8,22,25H,2,9H2,1H3/b6-3+ |
| InChIKey |
LBIXUFCAJCDPSR-ZZXKWVIFSA-N |
| Molecular Weight |
354.789 g/mol |
| SMILES |
Oc1c2c(c(c(c1\C=C\C)CC(=C)Cl)O)C(c1c(C2=O)cccc1)=O |
| SPLASH |
splash10-014i-0009000000-5e7c6d52921e75abfe86 |
| Source of Spectrum |
B-47-1321-0 |
| Wiley ID |
1344529 |
