| SpectraBase Spectrum ID |
9G3lNL1hb2r |
| Name |
1-(3',4'-Dimethoxy-6'-nitrobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinolin-3-one |
| Alternate Name(s) |
1-(4,5-dimethoxy-2-nitrobenzyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22N2O7 |
| InChI |
InChI=1S/C20H22N2O7/c1-26-16-6-11-8-20(23)21-14(13(11)9-18(16)28-3)5-12-7-17(27-2)19(29-4)10-15(12)22(24)25/h6-7,9-10,14H,5,8H2,1-4H3,(H,21,23) |
| InChIKey |
PFUYKSCEQQWVAE-UHFFFAOYSA-N |
| Molecular Weight |
402.403 g/mol |
| SMILES |
N1C(Cc2c(C1Cc1c(N(=O)=O)cc(c(OC)c1)OC)cc(c(c2)OC)OC)=O |
| SPLASH |
splash10-0a4i-0090000000-31c389a831a01cfe18ab |
| Source of Spectrum |
Y4-86-807-3 |
| Wiley ID |
1550222 |
