| SpectraBase Spectrum ID |
El5MVafnuCM |
| Name |
2-Butanol, 2-methyl-3-(nitroimino)-, benzoate (ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.095356935 u |
| Formula |
C12H14N2O4 |
| InChI |
InChI=1S/C12H14N2O4/c1-9(13-14(16)17)12(2,3)18-11(15)10-7-5-4-6-8-10/h4-8H,1-3H3/b13-9+ |
| InChIKey |
UCNLAVKMVHPIKV-UKTHLTGXSA-N |
| Molecular Weight |
250.254 g/mol |
| SMILES |
C(OC(\C(=N\N(=O)=O)C)(C)C)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923547 |
