| SpectraBase Spectrum ID |
9Zmy3VYO4Ka |
| Name |
Methanediol, [4-(acetyloxy)-3-methoxy-2-nitrophenyl]-, diacetate(ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.074681058 u |
| Formula |
C14H15NO9 |
| InChI |
InChI=1S/C14H15NO9/c1-7(16)22-11-6-5-10(12(15(19)20)13(11)21-4)14(23-8(2)17)24-9(3)18/h5-6,14H,1-4H3 |
| InChIKey |
LQLQUNDVLMMPME-UHFFFAOYSA-N |
| Molecular Weight |
341.272 g/mol |
| SMILES |
C=1(C(C(OC(=O)C)OC(=O)C)=CC=C(C1OC)OC(=O)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81992 |
![Methanediol, [4-(acetyloxy)-3-methoxy-2-nitrophenyl]-, diacetate(ester)](/api/spectrum/9Zmy3VYO4Ka/structure.png?h=300&w=458 "Methanediol, [4-(acetyloxy)-3-methoxy-2-nitrophenyl]-, diacetate(ester)")
