SpectraBase Compound ID | 6qMv2JegcHM |
---|---|
InChI | InChI=1S/C6H13NO/c1-5(7-3)4-6(2)8/h5,7H,4H2,1-3H3/t5-/m0/s1 |
InChIKey | ZZNHGYWZZHEEDY-YFKPBYRVSA-N |
Mol Weight | 115.18 g/mol |
Molecular Formula | C6H13NO |
Exact Mass | 115.099714 g/mol |
SpectraBase Spectrum ID | 70gJ8S9jrl1 |
---|---|
Name | Poly(iminoethylidenemethylenecarbonyl) |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 115.099714042 u |
Formula | C6H13NO |
InChI | InChI=1S/C6H13NO/c1-5(7-3)4-6(2)8/h5,7H,4H2,1-3H3/t5-/m0/s1 |
InChIKey | ZZNHGYWZZHEEDY-YFKPBYRVSA-N |
Molecular Weight | 115.176 g/mol |
Nominal Mass | 115 u |
SMILES | N([C@@]([H])(C)CC(=O)C)C |
Spectrum/Structure Validation Score (Raman) | 0.798471 |