| SpectraBase Spectrum ID |
CIGtbiVSwaM |
| Name |
6-Acetyl-3-chloro-7-hydroxyjuglone |
| Alternate Name(s) |
7-acetyl-2-chloro-6,8-dihydroxynaphthalene-1,4-dione
7-acetyl-2-chloro-6,8-dihydroxy-naphthalene-1,4-dione
2-chloranyl-7-ethanoyl-6,8-bis(oxidanyl)naphthalene-1,4-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H7ClO5 |
| InChI |
InChI=1S/C12H7ClO5/c1-4(14)9-8(16)2-5-7(15)3-6(13)11(17)10(5)12(9)18/h2-3,16,18H,1H3 |
| InChIKey |
QMGQVGHZWMEUBQ-UHFFFAOYSA-N |
| Molecular Weight |
266.636 g/mol |
| SMILES |
Oc1c(c(cc2c1C(C(=CC2=O)Cl)=O)O)C(=O)C |
| SPLASH |
splash10-0udi-0090000000-dbe6a2ac3d02bee7676b |
| Source of Spectrum |
SO-0-706-8 |
| Wiley ID |
1544961 |
