| SpectraBase Spectrum ID |
L3ieaEpTbcf |
| Name |
1-(2'-Bromobenzyl)-6,7-dimethoxyisoquinolin-3-one |
| Alternate Name(s) |
1-(2'-Bromobenzyl)-6,7-dimethoxyquinolin-3-one
1-(2-bromobenzyl)-6,7-dimethoxy-3(2H)-isoquinolinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16BrNO3 |
| InChI |
InChI=1S/C18H16BrNO3/c1-22-16-8-12-9-18(21)20-15(13(12)10-17(16)23-2)7-11-5-3-4-6-14(11)19/h3-6,8-10H,7H2,1-2H3,(H,20,21) |
| InChIKey |
UZMJMGWVTBOBNY-UHFFFAOYSA-N |
| Molecular Weight |
374.234 g/mol |
| SMILES |
N1C(C=C2C(=C1Cc1c(Br)cccc1)C=C(C(=C2)OC)OC)=O |
| SPLASH |
splash10-0006-0092000000-5b3b6d291760ce88443d |
| Source of Spectrum |
Y4-79-331-4 |
| Wiley ID |
1513189 |
