| SpectraBase Spectrum ID |
L6wB0WM3oU2 |
| Name |
1-(4-(Tert-butyl)phenoxy)-2-methyl-4-nitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.136493473 u |
| Formula |
C17H19NO3 |
| InChI |
InChI=1S/C17H19NO3/c1-12-11-14(18(19)20)7-10-16(12)21-15-8-5-13(6-9-15)17(2,3)4/h5-11H,1-4H3 |
| InChIKey |
PJJBLWIIZTYUPS-UHFFFAOYSA-N |
| SMILES |
C=1C=C(OC=2C=CC(=CC2)C(C)(C)C)C(=CC1[N+](=O)[O-])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914316 |
