| SpectraBase Spectrum ID |
KNuSaYdgbBn |
| Name |
2-(3-Methylbut-2-enyl)-3-[(phenylmethyl)amino]naphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.157228918 u |
| Formula |
C22H21NO2 |
| InChI |
InChI=1S/C22H21NO2/c1-15(2)12-13-19-20(23-14-16-8-4-3-5-9-16)22(25)18-11-7-6-10-17(18)21(19)24/h3-12,23H,13-14H2,1-2H3 |
| InChIKey |
QHMQKWHYAUCXOB-UHFFFAOYSA-N |
| Molecular Weight |
331.415 g/mol |
| SMILES |
C1(C(=C(C(C=2C=CC=CC12)=O)CC=C(C)C)NCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875536 |
![2-(3-Methylbut-2-enyl)-3-[(phenylmethyl)amino]naphthalene-1,4-dione](/api/spectrum/KNuSaYdgbBn/structure.png?h=300&w=458 "2-(3-Methylbut-2-enyl)-3-[(phenylmethyl)amino]naphthalene-1,4-dione")
