| SpectraBase Spectrum ID |
8UBInMxyYMl |
| Name |
5-(p-Bromophenyl)-6-(methoxymethyl)-4-propylisochroman-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21BrO3 |
| InChI |
InChI=1S/C20H21BrO3/c1-3-4-17-19-15(12-24-20(17)22)6-5-14(11-23-2)18(19)13-7-9-16(21)10-8-13/h5-10,17H,3-4,11-12H2,1-2H3 |
| InChIKey |
KYUXBXTUHHGNIY-UHFFFAOYSA-N |
| Molecular Weight |
389.289 g/mol |
| SMILES |
c12c(-c3ccc(cc3)Br)c(COC)ccc1COC(C2CCC)=O |
| SPLASH |
splash10-0006-9001000000-bef3fa75ec46fe7b9c09 |
| Source of Spectrum |
C-129-11607-4p |
| Wiley ID |
1701849 |
