| SpectraBase Spectrum ID |
H1Lr9H8zWd1 |
| Name |
Fumaramine |
| Alternate Name(s) |
(6Z)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylene]-[1,3]dioxolo[4,5-g]isoindol-8-one
(6Z)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20N2O5 |
| InChI |
InChI=1S/C21H20N2O5/c1-23(2)6-5-12-8-17-18(27-10-26-17)9-13(12)7-15-14-3-4-16-20(28-11-25-16)19(14)21(24)22-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,24)/b15-7- |
| InChIKey |
ZURFNKDWDFKHSG-CHHVJCJISA-N |
| Molecular Weight |
380.400 g/mol |
| SMILES |
N1\C(c2c(C1=O)c1c(cc2)OCO1)=C/c1c(cc2c(c1)OCO2)CCN(C)C |
| SPLASH |
splash10-0ue9-0096000000-122eb2253375974a9e78 |
| Source of Spectrum |
Y4-80-266-7 |
| Wiley ID |
1513264 |
