| SpectraBase Spectrum ID |
4ZZxM6unCZy |
| Name |
4-chloro-2-hydroxy-5-(2',3',4'-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one |
| Alternate Name(s) |
4-chloro-2-hydroxy-5-(2,3,4-trimethoxyphenyl)-2,4,6-cycloheptatrien-1-one |
| CAS Registry Number |
116211-77-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15ClO5 |
| InChI |
InChI=1S/C16H15ClO5/c1-20-14-7-5-10(15(21-2)16(14)22-3)9-4-6-12(18)13(19)8-11(9)17/h4-8H,1-3H3,(H,18,19) |
| InChIKey |
ZBRVVYJATIFHAC-UHFFFAOYSA-N |
| Molecular Weight |
322.744 g/mol |
| SMILES |
OC1=CC(=C(c2c(c(OC)c(cc2)OC)OC)C=CC1=O)Cl |
| SPLASH |
splash10-00di-0029000000-de159da43ffb65887b8a |
| Source of Spectrum |
J-53-4951-22 |
| Wiley ID |
1321499 |
