| SpectraBase Spectrum ID |
CeKOfqPQSNh |
| Name |
3-(2',5'-Dimethoxy-4'-bromophenyl)-1-isobenzofuranone |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C16H13BrO4 - which differs from the formula reported for the mass spectrum (C16H12BrO4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H12BrO4 |
| InChI |
InChI=1S/C16H13BrO4/c1-19-13-8-12(17)14(20-2)7-11(13)15-9-5-3-4-6-10(9)16(18)21-15/h3-8,15H,1-2H3 |
| InChIKey |
VVZZQZZANXXUCQ-UHFFFAOYSA-N |
| Molecular Weight |
349.180 g/mol |
| SMILES |
C1(OC(c2ccccc12)c1c(cc(c(c1)OC)Br)OC)=O |
| SPLASH |
splash10-0002-0009000000-15f5b13bc019b2de72dd |
| Source of Spectrum |
J-60-6590-11 |
| Wiley ID |
1339909 |
