| SpectraBase Spectrum ID |
A5napLt5plZ |
| Name |
Isophthalic acid, monoamide, N,N-diisobutyl-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.339944310 u |
| Formula |
C27H45NO3 |
| InChI |
InChI=1S/C27H45NO3/c1-6-7-8-9-10-11-12-13-14-18-31-27(30)25-17-15-16-24(19-25)26(29)28(20-22(2)3)21-23(4)5/h15-17,19,22-23H,6-14,18,20-21H2,1-5H3 |
| InChIKey |
PCCHTTQOJLEPNS-UHFFFAOYSA-N |
| Molecular Weight |
431.661 g/mol |
| SMILES |
C(N(C(C1=CC(=CC=C1)C(OCCCCCCCCCCC)=O)=O)CC(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835405 |
