SpectraBase Compound ID | DCMFaSnxfSU |
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InChI | InChI=1S/C8H15NO4/c1-9(2)6(8(11)13-4)5-7(10)12-3/h6H,5H2,1-4H3 |
InChIKey | ARELCOFELBUQAT-UHFFFAOYSA-N |
Mol Weight | 189.21 g/mol |
Molecular Formula | C8H15NO4 |
Exact Mass | 189.100108 g/mol |
SpectraBase Spectrum ID | BnaQG7j0dYj |
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Name | L-Aspartic acid, N,N-dimethyl-, dimethyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 189.100107963 u |
Formula | C8H15NO4 |
InChI | InChI=1S/C8H15NO4/c1-9(2)6(8(11)13-4)5-7(10)12-3/h6H,5H2,1-4H3 |
InChIKey | ARELCOFELBUQAT-UHFFFAOYSA-N |
Molecular Weight | 189.211 g/mol |
SMILES | C(=O)(OC)CC(N(C)C)C(OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969245 |