| SpectraBase Spectrum ID |
HAH8lyDkrXz |
| Name |
(4Z)-2-[4-(Methoxymethyl)-5-methyl-2-methylene-non-4-enyl]isoindoline-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.199093730 u |
| Formula |
C21H27NO3 |
| InChI |
InChI=1S/C21H27NO3/c1-5-6-9-16(3)17(14-25-4)12-15(2)13-22-20(23)18-10-7-8-11-19(18)21(22)24/h7-8,10-11H,2,5-6,9,12-14H2,1,3-4H3/b17-16- |
| InChIKey |
KQXWNYKVYBTWEA-MSUUIHNZSA-N |
| Molecular Weight |
341.451 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CC(C\C(=C\(CCCC)C)COC)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940845 |
![(4Z)-2-[4-(Methoxymethyl)-5-methyl-2-methylene-non-4-enyl]isoindoline-1,3-dione](/api/spectrum/HAH8lyDkrXz/structure.png?h=300&w=458 "(4Z)-2-[4-(Methoxymethyl)-5-methyl-2-methylene-non-4-enyl]isoindoline-1,3-dione")
