| SpectraBase Spectrum ID |
ExciQAZTtHZ |
| Name |
Phthalic acid, 4-fluoro-2-nitrophenyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.111815461 u |
| Formula |
C19H18FNO6 |
| InChI |
InChI=1S/C19H18FNO6/c1-19(2,3)11-26-17(22)13-6-4-5-7-14(13)18(23)27-16-9-8-12(20)10-15(16)21(24)25/h4-10H,11H2,1-3H3 |
| InChIKey |
WHTDCGQUAGTQSI-UHFFFAOYSA-N |
| Molecular Weight |
375.352 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OCC(C)(C)C)=O)C(OC1=CC=C(C=C1N(=O)=O)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951127 |
