| SpectraBase Spectrum ID |
I22uLPy3DLW |
| Name |
6-chloro-2-methoxy-5-(2',3',4'-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one |
| Alternate Name(s) |
6-chloro-2-methoxy-5-(2,3,4-trimethoxyphenyl)-2,4,6-cycloheptatrien-1-one |
| CAS Registry Number |
116211-76-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17ClO5 |
| InChI |
InChI=1S/C17H17ClO5/c1-20-14-7-5-10(12(18)9-13(14)19)11-6-8-15(21-2)17(23-4)16(11)22-3/h5-9H,1-4H3 |
| InChIKey |
QRPNTJBMLIKLOO-UHFFFAOYSA-N |
| Molecular Weight |
336.771 g/mol |
| SMILES |
C=1(C(=CC(=O)C(=CC1)OC)Cl)c1c(c(OC)c(cc1)OC)OC |
| SPLASH |
splash10-0a4r-0009000000-ffdf17db97b3004562ab |
| Source of Spectrum |
J-53-4951-2 |
| Wiley ID |
1332221 |
