| SpectraBase Spectrum ID |
9hEPVF5qO8o |
| Name |
Propylbenzene, 1'-hydroxy-3,4,5-trimethoxy-2'-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.105587265 u |
| Formula |
C12H17NO6 |
| InChI |
InChI=1S/C12H17NO6/c1-7(13(15)16)11(14)8-5-9(17-2)12(19-4)10(6-8)18-3/h5-7,11,14H,1-4H3 |
| InChIKey |
GBBDQROFIQKDRZ-UHFFFAOYSA-N |
| SMILES |
C1(=CC(=CC(=C1OC)OC)C(O)C(C)N(=O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876431 |
