| SpectraBase Compound ID | 4q4CB9WjxKm |
|---|---|
| InChI | InChI=1S/C8H9NO3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | OPJOGXGWTIGBAC-UHFFFAOYSA-N |
| Mol Weight | 167.16 g/mol |
| Molecular Formula | C8H9NO3 |
| Exact Mass | 167.058243 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GMuruueStLj |
|---|---|
| Name | 1-Methoxy-3-(nitromethyl)benzene |
| CAS Registry Number | 53016-47-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H9NO3 |
| InChI | InChI=1S/C8H9NO3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | OPJOGXGWTIGBAC-UHFFFAOYSA-N |
| Molecular Weight | 167.164 g/mol |
| SMILES | C(N(=O)=O)c1cc(OC)ccc1 |
| SPLASH | splash10-00di-0900000000-c5a6be2269edbafc8040 |
| Source of Spectrum | J-53-2873-2 |
| Wiley ID | 1163541 |