| SpectraBase Spectrum ID |
3a2DOlgZgD9 |
| Name |
2-Naphthalenecarboxamide, N-(4-butylphenyl)-1,3-dihydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.152143537 u |
| Formula |
C21H21NO3 |
| InChI |
InChI=1S/C21H21NO3/c1-2-3-6-14-9-11-16(12-10-14)22-21(25)19-18(23)13-15-7-4-5-8-17(15)20(19)24/h4-5,7-13,23-24H,2-3,6H2,1H3,(H,22,25) |
| InChIKey |
AFACIRJSXCFSLW-UHFFFAOYSA-N |
| Molecular Weight |
335.403 g/mol |
| SMILES |
CCCCC1=CC=C(C=C1)NC(=O)C1=C(O)C=C2C(=C1O)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827762 |
