SpectraBase Compound ID | 3orfEhAesyX |
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InChI | InChI=1S/C22H30N2O/c1-25-22-14-6-12-20-18(8-5-13-21(20)22)9-7-15-23-16-17-24-19-10-3-2-4-11-19/h2-4,6,10-12,14,18,23-24H,5,7-9,13,15-17H2,1H3 |
InChIKey | KXJWNZITOQQZAO-UHFFFAOYSA-N |
Mol Weight | 338.5 g/mol |
Molecular Formula | C22H30N2O |
Exact Mass | 338.235814 g/mol |
SpectraBase Spectrum ID | BI9yn8QQAQB |
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Name | 2-Anilinoethyl-[3-(5-methoxytetralin-1-yl)propyl]amine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 338.235813593 u |
Formula | C22H30N2O |
InChI | InChI=1S/C22H30N2O/c1-25-22-14-6-12-20-18(8-5-13-21(20)22)9-7-15-23-16-17-24-19-10-3-2-4-11-19/h2-4,6,10-12,14,18,23-24H,5,7-9,13,15-17H2,1H3 |
InChIKey | KXJWNZITOQQZAO-UHFFFAOYSA-N |
Molecular Weight | 338.495 g/mol |
SMILES | C(CNC=1C=CC=CC1)NCCCC1CCCC=2C(=CC=CC12)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958322 |