| SpectraBase Spectrum ID |
AVTrXbdlDxb |
| Name |
Phthalic acid, monoamide, N,N-dioctyl, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.371244439 u |
| Formula |
C29H49NO3 |
| InChI |
InChI=1S/C29H49NO3/c1-4-7-10-12-14-18-23-30(24-19-15-13-11-8-5-2)28(31)26-21-16-17-22-27(26)29(32)33-25-20-9-6-3/h16-17,21-22H,4-15,18-20,23-25H2,1-3H3 |
| InChIKey |
LDMFFGUHKROGSU-UHFFFAOYSA-N |
| Molecular Weight |
459.715 g/mol |
| SMILES |
C(N(C(=O)C1=C(C=CC=C1)C(OCCCCC)=O)CCCCCCCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867253 |
