| SpectraBase Spectrum ID |
EP991Dw8MPc |
| Name |
3-(2'-chloroprop-2'-enyl)-1-hydroxy-4-methoxy-2-(prop-2''-enyl)anthraquinone |
| Alternate Name(s) |
2-allyl-3-(2-chloro-2-propenyl)-1-hydroxy-4-methoxyanthra-9,10-quinone
3-(2'-Chloroprop-2'-enyl)-1-hydroxy-4-methoxy-2-(prop-2''-enyl)anthraquinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H17ClO4 |
| InChI |
InChI=1S/C21H17ClO4/c1-4-7-12-15(10-11(2)22)21(26-3)17-16(18(12)23)19(24)13-8-5-6-9-14(13)20(17)25/h4-6,8-9,23H,1-2,7,10H2,3H3 |
| InChIKey |
HYLIODODQWHHCX-UHFFFAOYSA-N |
| Molecular Weight |
368.816 g/mol |
| SMILES |
Oc1c2c(C(c3c(cccc3)C2=O)=O)c(c(c1CC=C)CC(=C)Cl)OC |
| SPLASH |
splash10-001i-0009000000-b2fc74ffd96165a4c81d |
| Source of Spectrum |
B-47-1321-0 |
| Wiley ID |
1353040 |
