| SpectraBase Spectrum ID |
4kka99PgD20 |
| Name |
N,N'-bis(4''-Phenylbutyl)-2-[(4'-phenylbutyl)aminomethyl]butane-1,4-diamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
513.408298654 u |
| Formula |
C35H51N3 |
| InChI |
InChI=1S/C35H51N3/c1-4-16-32(17-5-1)22-10-13-26-36-29-25-35(30-37-27-14-11-23-33-18-6-2-7-19-33)31-38-28-15-12-24-34-20-8-3-9-21-34/h1-9,16-21,35-38H,10-15,22-31H2 |
| InChIKey |
QRSTWUXXNGYYAK-UHFFFAOYSA-N |
| Molecular Weight |
513.814 g/mol |
| SMILES |
C(NCCCCC1=CC=CC=C1)C(CNCCCCC1=CC=CC=C1)CCNCCCCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986435 |
![N,N'-bis(4''-Phenylbutyl)-2-[(4'-phenylbutyl)aminomethyl]butane-1,4-diamine](/api/spectrum/4kka99PgD20/structure.png?h=300&w=458 "N,N'-bis(4''-Phenylbutyl)-2-[(4'-phenylbutyl)aminomethyl]butane-1,4-diamine")
