| SpectraBase Spectrum ID |
BWqxEBVRNjO |
| Name |
Propanedioic acid, [(2-bromo-3,5-dimethoxyphenyl)methyl]-, diethyl ester |
| Alternate Name(s) |
diethyl 2-(2-bromo-3,5-dimethoxybenzyl)malonate
Diethyl 2-(2-bromo-3,5-dimethoxybenzyl)propane-1,3-dioate |
| CAS Registry Number |
105705-33-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21BrO6 |
| InChI |
InChI=1S/C16H21BrO6/c1-5-22-15(18)12(16(19)23-6-2)8-10-7-11(20-3)9-13(21-4)14(10)17/h7,9,12H,5-6,8H2,1-4H3 |
| InChIKey |
ASVLMHLHANIALV-UHFFFAOYSA-N |
| Molecular Weight |
389.242 g/mol |
| SMILES |
C(Cc1c(c(OC)cc(c1)OC)Br)(C(=O)OCC)C(=O)OCC |
| SPLASH |
splash10-0a4i-0089000000-7a6d25ca98c16a1143f2 |
| Source of Spectrum |
B-39-793-5 |
| Wiley ID |
1363604 |
![Propanedioic acid, [(2-bromo-3,5-dimethoxyphenyl)methyl]-, diethyl ester](/api/spectrum/BWqxEBVRNjO/structure.png?h=300&w=458 "Propanedioic acid, [(2-bromo-3,5-dimethoxyphenyl)methyl]-, diethyl ester")
