| SpectraBase Spectrum ID |
EFV2eiEOP9C |
| Name |
4-(2-Methoxy-5-methyl-phenoxy)-3-nitro-benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.089937201 u |
| Formula |
C16H15NO6 |
| InChI |
InChI=1S/C16H15NO6/c1-10-4-6-14(21-2)15(8-10)23-13-7-5-11(16(18)22-3)9-12(13)17(19)20/h4-9H,1-3H3 |
| InChIKey |
XHKARCLCSCUWLY-UHFFFAOYSA-N |
| Molecular Weight |
317.297 g/mol |
| SMILES |
C=1(N(=O)=O)C(OC=2C(=CC=C(C2)C)OC)=CC=C(C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944759 |
