| SpectraBase Spectrum ID |
94ePXykFMLW |
| Name |
1,3-Benzenediol, o-(4-nitrobenzoyl)-o'-(pivaloyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.105587265 u |
| Formula |
C18H17NO6 |
| InChI |
InChI=1S/C18H17NO6/c1-18(2,3)17(21)25-15-6-4-5-14(11-15)24-16(20)12-7-9-13(10-8-12)19(22)23/h4-11H,1-3H3 |
| InChIKey |
GOOHSPXDRCNJDM-UHFFFAOYSA-N |
| Molecular Weight |
343.335 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(C(C)(C)C)=O)OC(C1=CC=C(C=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840627 |
