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Glycine, N-propoxycarbonyl-, isohexyl ester

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Glycine, N-propoxycarbonyl-, isohexyl ester
SpectraBase Compound ID 6WJUZCRrept
InChI InChI=1S/C12H23NO4/c1-4-7-17-12(15)13-9-11(14)16-8-5-6-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey ZRJATBIMAMEQRD-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ERC5CWV63cq
Name Glycine, N-propoxycarbonyl-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.162708221 u
Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-4-7-17-12(15)13-9-11(14)16-8-5-6-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey ZRJATBIMAMEQRD-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES CCCOC(NCC(OCCCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922359