SpectraBase Compound ID | AO5CDoaRVwi |
---|---|
InChI | InChI=1S/C5H8N2O2/c6-5(9)7-3-1-2-4(7)8/h1-3H2,(H2,6,9) |
InChIKey | XYVMBSCIEDOIJQ-UHFFFAOYSA-N |
Mol Weight | 128.13 g/mol |
Molecular Formula | C5H8N2O2 |
Exact Mass | 128.058578 g/mol |
SpectraBase Spectrum ID | 6bp9gT82B5J |
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Name | Squamolone;N-aminocarbonyl-2-oxopyrrolidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 128.058577504 u |
Formula | C5H8N2O2 |
InChI | InChI=1S/C5H8N2O2/c6-5(9)7-3-1-2-4(7)8/h1-3H2,(H2,6,9) |
InChIKey | XYVMBSCIEDOIJQ-UHFFFAOYSA-N |
Molecular Weight | 128.131 g/mol |
SMILES | C1(=O)CCCN1C(=O)N |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959721 |