SpectraBase Compound ID | AgXouTR7xBO |
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InChI | InChI=1S/C9H19NO2/c1-5-6-12-9(11)10(4)7-8(2)3/h8H,5-7H2,1-4H3 |
InChIKey | DWCGNKOVOBIKIZ-UHFFFAOYSA-N |
Mol Weight | 173.26 g/mol |
Molecular Formula | C9H19NO2 |
Exact Mass | 173.141579 g/mol |
SpectraBase Spectrum ID | Fn3LCmBzVzA |
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Name | Carbamic acid, N-methyl-N-isobutyl-, propyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 173.141578854 u |
Formula | C9H19NO2 |
InChI | InChI=1S/C9H19NO2/c1-5-6-12-9(11)10(4)7-8(2)3/h8H,5-7H2,1-4H3 |
InChIKey | DWCGNKOVOBIKIZ-UHFFFAOYSA-N |
Molecular Weight | 173.256 g/mol |
SMILES | C(OCCC)(=O)N(C)CC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932921 |