| SpectraBase Spectrum ID |
DYV6iKUE63p |
| Name |
13-(3-Phthalimid-5-oxapentyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.220951371 u |
| Formula |
C22H32N2O7 |
| InChI |
InChI=1S/C22H32N2O7/c25-21-18-4-3-5-19(20(18)22(26)23-21)31-9-2-1-6-24-7-10-27-12-14-29-16-17-30-15-13-28-11-8-24/h3-5H,1-2,6-17H2,(H,23,25,26) |
| InChIKey |
URAFUZCMZQSRAA-UHFFFAOYSA-N |
| Molecular Weight |
436.505 g/mol |
| SMILES |
C1COCCN(CCOCCOCCO1)CCCCOC1=C2C(=CC=C1)C(=O)NC2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953073 |
