| SpectraBase Spectrum ID |
1p7zdg0D77T |
| Name |
(Z)-Methyl 5-bromo -2-methylene-6-phenyl-9-phthalimidyl-5-nonenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.088871253 u |
| Formula |
C25H24BrNO4 |
| InChI |
InChI=1S/C25H24BrNO4/c1-17(25(30)31-2)14-15-22(26)19(18-9-4-3-5-10-18)13-8-16-27-23(28)20-11-6-7-12-21(20)24(27)29/h3-7,9-12H,1,8,13-16H2,2H3/b22-19- |
| InChIKey |
ZBAXZIWLBZGIKN-QOCHGBHMSA-N |
| Molecular Weight |
482.374 g/mol |
| SMILES |
C(\C(=C/(CCC(C(OC)=O)=C)Br)C=1C=CC=CC1)CCN1C(C2=C(C1=O)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933892 |
