| SpectraBase Spectrum ID |
FHQDmxpyASU |
| Name |
2,2,7,8-Tetramethyl-5-nitrochroman-6-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.115758027 u |
| Formula |
C13H17NO4 |
| InChI |
InChI=1S/C13H17NO4/c1-7-8(2)12-9(5-6-13(3,4)18-12)10(11(7)15)14(16)17/h15H,5-6H2,1-4H3 |
| InChIKey |
QPFZLSGRCSWSLK-UHFFFAOYSA-N |
| Molecular Weight |
251.282 g/mol |
| SMILES |
C=12OC(CCC1C(=C(C(=C2C)C)O)N(=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946642 |
