| SpectraBase Spectrum ID |
KIeS9KIS4F6 |
| Name |
2-Allyl-3-(6-hydroxymethylbenzo[1,3]dioxol-5-yl)-6,7-dimethoxyisoquinolin-1(2H)-one |
| Alternate Name(s) |
3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-2-prop-2-enyl-1-isoquinolinone
3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-2-prop-2-enylisoquinolin-1-one
2-allyl-3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-isoquinolin-1-one
3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-2-prop-2-enyl-isoquinolin-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21NO6 |
| InChI |
InChI=1S/C22H21NO6/c1-4-5-23-17(15-9-21-20(28-12-29-21)8-14(15)11-24)6-13-7-18(26-2)19(27-3)10-16(13)22(23)25/h4,6-10,24H,1,5,11-12H2,2-3H3 |
| InChIKey |
JYXIJRXETOCNCI-UHFFFAOYSA-N |
| Molecular Weight |
395.411 g/mol |
| SMILES |
OCc1c(C=2N(C(=O)c3c(C2)cc(c(OC)c3)OC)CC=C)cc2OCOc2c1 |
| SPLASH |
splash10-0002-0009000000-da5b91025bc5f2fab70a |
| Source of Spectrum |
E1-59-1172-10b |
| Wiley ID |
1705427 |
![2-Allyl-3-(6-hydroxymethylbenzo[1,3]dioxol-5-yl)-6,7-dimethoxyisoquinolin-1(2H)-one](/api/spectrum/KIeS9KIS4F6/structure.png?h=300&w=458 "2-Allyl-3-(6-hydroxymethylbenzo[1,3]dioxol-5-yl)-6,7-dimethoxyisoquinolin-1(2H)-one")
