| SpectraBase Spectrum ID |
IPsCwWrxLdy |
| Name |
Benzamide, 4-nitro-N-propyl-N-(hept-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.194342702 u |
| Formula |
C17H26N2O3 |
| InChI |
InChI=1S/C17H26N2O3/c1-4-6-7-8-14(3)18(13-5-2)17(20)15-9-11-16(12-10-15)19(21)22/h9-12,14H,4-8,13H2,1-3H3 |
| InChIKey |
DJNDIDRKFVEOGY-UHFFFAOYSA-N |
| Molecular Weight |
306.406 g/mol |
| SMILES |
C(=O)(N(CCC)C(CCCCC)C)C=1C=CC(=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903519 |
