| SpectraBase Spectrum ID |
FDfmPAxJEFL |
| Name |
4-chloro-2-methoxy-5-(2',3',4'-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one |
| Alternate Name(s) |
4-chloro-2-methoxy-5-(2,3,4-trimethoxyphenyl)-2,4,6-cycloheptatrien-1-one |
| CAS Registry Number |
116211-78-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17ClO5 |
| InChI |
InChI=1S/C17H17ClO5/c1-20-14-8-6-11(16(22-3)17(14)23-4)10-5-7-13(19)15(21-2)9-12(10)18/h5-9H,1-4H3 |
| InChIKey |
ALSKBJPUQLYQGC-UHFFFAOYSA-N |
| Molecular Weight |
336.771 g/mol |
| SMILES |
C1(=C(C=C(OC)C(C=C1)=O)Cl)c1c(c(OC)c(cc1)OC)OC |
| SPLASH |
splash10-052r-0009000000-32c52c3b605ad8593db1 |
| Source of Spectrum |
J-53-4951-23 |
| Wiley ID |
1332222 |
