| SpectraBase Compound ID | Gns1TPbTJN |
|---|---|
| InChI | InChI=1S/C12H14N2O4/c1-18-11(16)8-7-10(15)13-14-12(17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15)(H,14,17) |
| InChIKey | XBXWQGSCTZEEPW-UHFFFAOYSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C12H14N2O4 |
| Exact Mass | 250.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsabuaIeYiu |
|---|---|
| Name | Butanedioic acid, monohydrazide, N2-benzoyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.095356935 u |
| Formula | C12H14N2O4 |
| InChI | InChI=1S/C12H14N2O4/c1-18-11(16)8-7-10(15)13-14-12(17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15)(H,14,17) |
| InChIKey | XBXWQGSCTZEEPW-UHFFFAOYSA-N |
| Molecular Weight | 250.254 g/mol |
| SMILES | C(NNC(C1=CC=CC=C1)=O)(=O)CCC(OC)=O |