| SpectraBase Spectrum ID |
4STlVqla7Zz |
| Name |
3-Nitro-2-methyl-2-butylchromene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.120843408 u |
| Formula |
C14H17NO3 |
| InChI |
InChI=1S/C14H17NO3/c1-3-4-9-14(2)13(15(16)17)10-11-7-5-6-8-12(11)18-14/h5-8,10H,3-4,9H2,1-2H3 |
| InChIKey |
PZKJEGFBDDWCNI-UHFFFAOYSA-N |
| Molecular Weight |
247.294 g/mol |
| SMILES |
C1(C(=CC=2C=CC=CC2O1)N(=O)=O)(CCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836794 |
