SpectraBase Compound ID | Ehrjt0xMJzj |
---|---|
InChI | InChI=1S/C8H15NO3/c1-4-12-7(11)5-9-8(2,3)6-10/h6,9H,4-5H2,1-3H3 |
InChIKey | WAPIPSPXXVJSGP-UHFFFAOYSA-N |
Mol Weight | 173.21 g/mol |
Molecular Formula | C8H15NO3 |
Exact Mass | 173.105193 g/mol |
SpectraBase Spectrum ID | CoM1eeltefb |
---|---|
Name | Glycine, N-(1,1-dimethyl-2-oxoethyl)-, ethyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 173.105193344 u |
Formula | C8H15NO3 |
InChI | InChI=1S/C8H15NO3/c1-4-12-7(11)5-9-8(2,3)6-10/h6,9H,4-5H2,1-3H3 |
InChIKey | WAPIPSPXXVJSGP-UHFFFAOYSA-N |
Molecular Weight | 173.212 g/mol |
SMILES | C(C)(C)(NCC(OCC)=O)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894553 |