| SpectraBase Spectrum ID |
EHbGyQz3so7 |
| Name |
Isophthalic acid, monoamide, N,N-diheptyl-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.386894503 u |
| Formula |
C30H51NO3 |
| InChI |
InChI=1S/C30H51NO3/c1-4-7-10-13-16-19-25-34-30(33)28-22-20-21-27(26-28)29(32)31(23-17-14-11-8-5-2)24-18-15-12-9-6-3/h20-22,26H,4-19,23-25H2,1-3H3 |
| InChIKey |
XXTXTEFGHDHPDP-UHFFFAOYSA-N |
| Molecular Weight |
473.742 g/mol |
| SMILES |
C1=CC=C(C=C1C(OCCCCCCCC)=O)C(N(CCCCCCC)CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952639 |
