| SpectraBase Spectrum ID |
6ITfchaEDmy |
| Name |
Phthalic acid, neopentyl 2-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.121237330 u |
| Formula |
C19H19NO6 |
| InChI |
InChI=1S/C19H19NO6/c1-19(2,3)12-25-17(21)13-8-4-5-9-14(13)18(22)26-16-11-7-6-10-15(16)20(23)24/h4-11H,12H2,1-3H3 |
| InChIKey |
NNXYPZBNTZOQCB-UHFFFAOYSA-N |
| Molecular Weight |
357.362 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OCC(C)(C)C)=O)C(OC1=C(C=CC=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85231 |
