SpectraBase Compound ID | 7hRNQYq97Fe |
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InChI | InChI=1S/C8H15NO4/c1-4-5-13-7(10)6(2)9-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,11) |
InChIKey | YYULCALUFVDZRP-UHFFFAOYSA-N |
Mol Weight | 189.21 g/mol |
Molecular Formula | C8H15NO4 |
Exact Mass | 189.100108 g/mol |
SpectraBase Spectrum ID | FsNUFh2Wdjm |
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Name | L-Alanine, N-methoxycarbonyl-, propyl 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/c1-4-5-13-7(10)6(2)9-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,11) |
InChIKey | YYULCALUFVDZRP-UHFFFAOYSA-N |
Molecular Weight | 189.211 g/mol |
SMILES | COC(=O)NC(C)C(OCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945948 |