| SpectraBase Spectrum ID |
F8x97KsOKn8 |
| Name |
Benzoic acid, 4-(1,3-benzodioxol-5-yloxy)-3-nitro-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.069201756 u |
| Formula |
C16H13NO7 |
| InChI |
InChI=1S/C16H13NO7/c1-2-21-16(18)10-3-5-13(12(7-10)17(19)20)24-11-4-6-14-15(8-11)23-9-22-14/h3-8H,2,9H2,1H3 |
| InChIKey |
ZSNYKCXGLDMSLT-UHFFFAOYSA-N |
| Molecular Weight |
331.280 g/mol |
| SMILES |
C1(N(=O)=O)=C(OC=2C=C3OCOC3=CC2)C=CC(=C1)C(OCC)=O |
