SpectraBase Spectrum ID |
6oTKUXFww8t |
Name |
2-Methyl-8-nitro-3,4-dihydro-2H-benzopyran |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
193.073893215 u |
Formula |
C10H11NO3 |
InChI |
InChI=1S/C10H11NO3/c1-7-5-6-8-3-2-4-9(11(12)13)10(8)14-7/h2-4,7H,5-6H2,1H3 |
InChIKey |
YHVDGPPWUNCQOS-UHFFFAOYSA-N |
Molecular Weight |
193.202 g/mol |
SMILES |
C1(N(=O)=O)=C2OC(C)CCC2=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91453 |